 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer01_STD_M11_def2SVPD.in
 Output=21_phenylethanol_conformer01_STD_M11_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/Gau-174673.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/M11_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    174675.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer01_STD_M11_def2SVPD
 ----------------------------------------------------------------------
 #P M11/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA Gu
 ess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer01_STD_M11_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                 2.166220000000     -0.541659000000      1.195302000000
  C                                                 1.646020000000     -0.400115000000     -0.135719000000
  H                                                 1.838555000000      0.193959000000      1.725431000000
  H                                                 1.824407000000     -1.375317000000     -0.592567000000
  C                                                 2.427578000000      0.650046000000     -0.915467000000
  C                                                 0.150400000000     -0.165668000000     -0.105785000000
  H                                                 2.328899000000      1.638727000000     -0.463185000000
  H                                                 2.074000000000      0.712216000000     -1.946429000000
  H                                                 3.485412000000      0.387513000000     -0.919933000000
  C                                                -0.725222000000     -1.234479000000     -0.286837000000
  C                                                -2.100455000000     -1.052102000000     -0.214220000000
  C                                                -2.622082000000      0.208958000000      0.048005000000
  C                                                -1.759833000000      1.283245000000      0.232897000000
  C                                                -0.385458000000      1.096625000000      0.152590000000
  H                                                -0.321703000000     -2.220444000000     -0.483457000000
  H                                                -2.764487000000     -1.894375000000     -0.360877000000
  H                                                -3.693001000000      0.354600000000      0.105456000000
  H                                                -2.158100000000      2.269728000000      0.433453000000
  H                                                 0.270579000000      1.947610000000      0.286902000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.436057   0.000000
     3  H    0.964124   1.963128   0.000000
     4  H    2.002073   1.091582   2.799275   0.000000
     5  C    2.437994   1.523705   2.743958   2.137797   0.000000
     6  C    2.428524   1.514180   2.516456   2.121911   2.550787
     7  H    2.744290   2.174956   2.667926   3.058711   1.091690
     8  H    3.383959   2.167745   3.715721   2.500607   1.091680
     9  H    2.660422   2.149119   3.122107   2.444110   1.089934
    10  C    3.322224   2.518291   3.558456   2.571753   3.726494
    11  C    4.522369   3.803594   4.564068   3.956281   4.887958
    12  C    4.980718   4.315254   4.765634   4.763562   5.159642
    13  C    4.435131   3.816990   4.045071   4.538295   4.387948
    14  C    3.206600   2.539735   2.869646   3.398420   3.041932
    15  H    3.438940   2.703045   3.921128   2.309098   3.998111
    16  H    5.344474   4.662197   5.468255   4.623965   5.808544
    17  H    6.026733   5.397491   5.766128   5.824229   6.212170
    18  H    5.213833   4.682237   4.685219   5.495401   5.046920
    19  H    3.258083   2.753590   2.757391   3.772226   2.789625
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.851216   0.000000
     8  H    2.803371   1.767317   0.000000
     9  H    3.477233   1.763995   1.775165   0.000000
    10  C    1.393503   4.196912   3.792033   4.556436   0.000000
    11  C    2.421543   5.188615   4.851746   5.811405   1.389173
    12  C    2.801902   5.178587   5.126814   6.186297   2.407012
    13  C    2.421372   4.162767   4.446775   5.444626   2.771187
    14  C    1.395452   2.835628   3.256161   4.078821   2.396368
    15  H    2.141873   4.681805   4.059578   4.635308   1.083335
    16  H    3.398539   6.199666   5.720074   6.676885   2.144655
    17  H    3.884203   6.183495   6.131592   7.251353   3.389215
    18  H    3.398691   4.619013   5.099054   6.101116   3.853754
    19  H    2.152810   2.212402   3.125107   3.771671   3.383266
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.389651   0.000000
    13  C    2.402037   1.389874   0.000000
    14  C    2.773588   2.408605   1.389310   0.000000
    15  H    2.145104   3.387653   3.854506   3.378101   0.000000
    16  H    1.082530   2.147434   3.385139   3.856100   2.467497
    17  H    2.148768   1.082303   2.148432   3.390083   4.282910
    18  H    3.384872   2.147236   1.082584   2.144135   4.937076
    19  H    3.856319   3.383411   2.137024   1.082866   4.279828
                   16         17         18         19
    16  H    0.000000
    17  H    2.477396   0.000000
    18  H    4.282338   2.476130   0.000000
    19  H    4.938835   4.275578   2.454327   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.42D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0        2.166220   -0.541659    1.195302
      2          6           0        1.646020   -0.400115   -0.135719
      3          1           0        1.838555    0.193959    1.725431
      4          1           0        1.824407   -1.375317   -0.592567
      5          6           0        2.427578    0.650046   -0.915467
      6          6           0        0.150400   -0.165668   -0.105785
      7          1           0        2.328899    1.638727   -0.463185
      8          1           0        2.074000    0.712216   -1.946429
      9          1           0        3.485412    0.387513   -0.919933
     10          6           0       -0.725222   -1.234479   -0.286837
     11          6           0       -2.100455   -1.052102   -0.214220
     12          6           0       -2.622082    0.208958    0.048005
     13          6           0       -1.759833    1.283245    0.232897
     14          6           0       -0.385458    1.096625    0.152590
     15          1           0       -0.321703   -2.220444   -0.483457
     16          1           0       -2.764487   -1.894375   -0.360877
     17          1           0       -3.693001    0.354600    0.105456
     18          1           0       -2.158100    2.269728    0.433453
     19          1           0        0.270579    1.947610    0.286902
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4676766           1.1011704           0.9798041
 Leave Link  202 at Thu Aug 12 21:43:59 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       424.8829512949 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               4.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.18D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               2.1 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 21:44:00 2021, MaxMem=  5368709120 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer01_STD_M11_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 21:44:01 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.564338122600    
 DIIS: error= 4.76D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.564338122600     IErMin= 1 ErrMin= 4.76D-03
 ErrMax= 4.76D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.41D-02 BMatP= 1.41D-02
 IDIUse=3 WtCom= 9.52D-01 WtEn= 4.76D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.407 Goal=   None    Shift=    0.000
 GapD=    0.407 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.30D-02 MaxDP=5.38D-01              OVMax= 2.13D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.14D-02    CP:  1.18D+00
 E= -385.579841751487     Delta-E=       -0.015503628886 Rises=F Damp=F
 DIIS: error= 8.94D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.579841751487     IErMin= 2 ErrMin= 8.94D-04
 ErrMax= 8.94D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.62D-04 BMatP= 1.41D-02
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.94D-03
 Coeff-Com: -0.340D-01 0.103D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.337D-01 0.103D+01
 Gap=     0.400 Goal=   None    Shift=    0.000
 RMSDP=2.56D-03 MaxDP=9.07D-02 DE=-1.55D-02 OVMax= 9.10D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.25D-03    CP:  1.24D+00  1.12D+00
 E= -385.580360297708     Delta-E=       -0.000518546222 Rises=F Damp=F
 DIIS: error= 8.71D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.580360297708     IErMin= 3 ErrMin= 8.71D-04
 ErrMax= 8.71D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.64D-04 BMatP= 6.62D-04
 IDIUse=3 WtCom= 9.91D-01 WtEn= 8.71D-03
 Coeff-Com: -0.683D-01 0.517D+00 0.551D+00
 Coeff-En:   0.000D+00 0.528D-02 0.995D+00
 Coeff:     -0.677D-01 0.512D+00 0.555D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.50D-04 MaxDP=1.19D-02 DE=-5.19D-04 OVMax= 4.58D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  1.84D-04    CP:  1.24D+00  1.13D+00  1.09D+00
 E= -385.580746736166     Delta-E=       -0.000386438457 Rises=F Damp=F
 DIIS: error= 1.42D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.580746736166     IErMin= 4 ErrMin= 1.42D-04
 ErrMax= 1.42D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.66D-06 BMatP= 5.64D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.42D-03
 Coeff-Com: -0.438D-02-0.341D-01 0.576D-01 0.981D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.437D-02-0.340D-01 0.575D-01 0.981D+00
 Gap=     0.397 Goal=   None    Shift=    0.000
 RMSDP=1.14D-04 MaxDP=3.17D-03 DE=-3.86D-04 OVMax= 1.08D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.08D-04    CP:  1.24D+00  1.13D+00  1.10D+00  1.00D+00
 E= -385.580758977645     Delta-E=       -0.000012241480 Rises=F Damp=F
 DIIS: error= 3.43D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.580758977645     IErMin= 5 ErrMin= 3.43D-05
 ErrMax= 3.43D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.96D-07 BMatP= 8.66D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.328D-02-0.404D-01-0.254D-01 0.253D+00 0.809D+00
 Coeff:      0.328D-02-0.404D-01-0.254D-01 0.253D+00 0.809D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.84D-05 MaxDP=9.05D-04 DE=-1.22D-05 OVMax= 3.75D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  2.05D-05    CP:  1.24D+00  1.13D+00  1.11D+00  1.01D+00  1.10D+00
 E= -385.580760307012     Delta-E=       -0.000001329366 Rises=F Damp=F
 DIIS: error= 1.24D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.580760307012     IErMin= 6 ErrMin= 1.24D-05
 ErrMax= 1.24D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.26D-07 BMatP= 9.96D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.132D-02-0.960D-02-0.137D-01-0.571D-02 0.251D+00 0.776D+00
 Coeff:      0.132D-02-0.960D-02-0.137D-01-0.571D-02 0.251D+00 0.776D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=9.16D-06 MaxDP=2.04D-04 DE=-1.33D-06 OVMax= 1.33D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  6.11D-06    CP:  1.24D+00  1.13D+00  1.11D+00  1.00D+00  1.14D+00
                    CP:  9.64D-01
 E= -385.580760486522     Delta-E=       -0.000000179510 Rises=F Damp=F
 DIIS: error= 4.01D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.580760486522     IErMin= 7 ErrMin= 4.01D-06
 ErrMax= 4.01D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.53D-08 BMatP= 1.26D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.680D-04 0.151D-02-0.153D-02-0.310D-01-0.252D-01 0.220D+00
 Coeff-Com:  0.836D+00
 Coeff:      0.680D-04 0.151D-02-0.153D-02-0.310D-01-0.252D-01 0.220D+00
 Coeff:      0.836D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.85D-06 MaxDP=8.83D-05 DE=-1.80D-07 OVMax= 6.53D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.26D-06    CP:  1.24D+00  1.13D+00  1.11D+00  9.99D-01  1.16D+00
                    CP:  1.04D+00  1.01D+00
 E= -385.580760512153     Delta-E=       -0.000000025631 Rises=F Damp=F
 DIIS: error= 1.51D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.580760512153     IErMin= 8 ErrMin= 1.51D-06
 ErrMax= 1.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.37D-09 BMatP= 1.53D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.179D-03 0.210D-02 0.159D-02-0.105D-01-0.475D-01-0.393D-01
 Coeff-Com:  0.295D+00 0.799D+00
 Coeff:     -0.179D-03 0.210D-02 0.159D-02-0.105D-01-0.475D-01-0.393D-01
 Coeff:      0.295D+00 0.799D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.46D-06 MaxDP=4.11D-05 DE=-2.56D-08 OVMax= 2.37D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.24D-07    CP:  1.24D+00  1.13D+00  1.11D+00  9.96D-01  1.16D+00
                    CP:  1.06D+00  1.09D+00  1.09D+00
 E= -385.580760515825     Delta-E=       -0.000000003672 Rises=F Damp=F
 DIIS: error= 3.73D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.580760515825     IErMin= 9 ErrMin= 3.73D-07
 ErrMax= 3.73D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.05D-11 BMatP= 2.37D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.189D-04 0.897D-04 0.223D-03 0.947D-03-0.226D-02-0.171D-01
 Coeff-Com: -0.253D-01 0.599D-01 0.984D+00
 Coeff:     -0.189D-04 0.897D-04 0.223D-03 0.947D-03-0.226D-02-0.171D-01
 Coeff:     -0.253D-01 0.599D-01 0.984D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=5.89D-07 MaxDP=1.53D-05 DE=-3.67D-09 OVMax= 6.45D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  2.83D-07    CP:  1.24D+00  1.13D+00  1.11D+00  9.96D-01  1.16D+00
                    CP:  1.06D+00  1.10D+00  1.16D+00  1.12D+00
 E= -385.580760516001     Delta-E=       -0.000000000177 Rises=F Damp=F
 DIIS: error= 1.88D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.580760516001     IErMin=10 ErrMin= 1.88D-07
 ErrMax= 1.88D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.67D-11 BMatP= 7.05D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.121D-04-0.190D-03-0.924D-04 0.142D-02 0.412D-02-0.215D-02
 Coeff-Com: -0.374D-01-0.619D-01 0.335D+00 0.762D+00
 Coeff:      0.121D-04-0.190D-03-0.924D-04 0.142D-02 0.412D-02-0.215D-02
 Coeff:     -0.374D-01-0.619D-01 0.335D+00 0.762D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.05D-07 MaxDP=2.08D-06 DE=-1.77D-10 OVMax= 3.14D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  8.04D-08    CP:  1.24D+00  1.13D+00  1.11D+00  9.96D-01  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.17D+00  1.14D+00  1.08D+00
 E= -385.580760516009     Delta-E=       -0.000000000008 Rises=F Damp=F
 DIIS: error= 6.50D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.580760516009     IErMin=11 ErrMin= 6.50D-08
 ErrMax= 6.50D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.61D-12 BMatP= 1.67D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.223D-05-0.127D-04-0.293D-04-0.620D-04 0.337D-03 0.179D-02
 Coeff-Com:  0.294D-02-0.890D-02-0.118D+00 0.142D-01 0.111D+01
 Coeff:      0.223D-05-0.127D-04-0.293D-04-0.620D-04 0.337D-03 0.179D-02
 Coeff:      0.294D-02-0.890D-02-0.118D+00 0.142D-01 0.111D+01
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=5.25D-08 MaxDP=1.19D-06 DE=-8.07D-12 OVMax= 2.10D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  3.37D-08    CP:  1.24D+00  1.13D+00  1.11D+00  9.95D-01  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.17D+00  1.15D+00  1.18D+00
                    CP:  1.27D+00
 E= -385.580760516026     Delta-E=       -0.000000000017 Rises=F Damp=F
 DIIS: error= 3.52D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.580760516026     IErMin=12 ErrMin= 3.52D-08
 ErrMax= 3.52D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.23D-13 BMatP= 1.61D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.139D-05 0.268D-04 0.880D-05-0.234D-03-0.596D-03 0.654D-03
 Coeff-Com:  0.648D-02 0.817D-02-0.756D-01-0.118D+00 0.205D+00 0.974D+00
 Coeff:     -0.139D-05 0.268D-04 0.880D-05-0.234D-03-0.596D-03 0.654D-03
 Coeff:      0.648D-02 0.817D-02-0.756D-01-0.118D+00 0.205D+00 0.974D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.50D-08 MaxDP=7.07D-07 DE=-1.73D-11 OVMax= 1.11D-06

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  1.32D-08    CP:  1.24D+00  1.13D+00  1.11D+00  9.95D-01  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.17D+00  1.15D+00  1.21D+00
                    CP:  1.42D+00  1.35D+00
 E= -385.580760516033     Delta-E=       -0.000000000006 Rises=F Damp=F
 DIIS: error= 1.69D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -385.580760516033     IErMin=13 ErrMin= 1.69D-08
 ErrMax= 1.69D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.47D-14 BMatP= 3.23D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.822D-06 0.971D-05 0.897D-05-0.531D-04-0.239D-03-0.180D-03
 Coeff-Com:  0.118D-02 0.418D-02 0.233D-02-0.336D-01-0.156D+00 0.222D+00
 Coeff-Com:  0.961D+00
 Coeff:     -0.822D-06 0.971D-05 0.897D-05-0.531D-04-0.239D-03-0.180D-03
 Coeff:      0.118D-02 0.418D-02 0.233D-02-0.336D-01-0.156D+00 0.222D+00
 Coeff:      0.961D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.19D-08 MaxDP=2.95D-07 DE=-6.25D-12 OVMax= 5.25D-07

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  5.81D-09    CP:  1.24D+00  1.13D+00  1.11D+00  9.95D-01  1.16D+00
                    CP:  1.06D+00  1.11D+00  1.17D+00  1.14D+00  1.21D+00
                    CP:  1.46D+00  1.56D+00  1.32D+00
 E= -385.580760516036     Delta-E=       -0.000000000003 Rises=F Damp=F
 DIIS: error= 5.00D-09 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -385.580760516036     IErMin=14 ErrMin= 5.00D-09
 ErrMax= 5.00D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-14 BMatP= 6.47D-14
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.126D-07-0.185D-05 0.102D-05 0.243D-04 0.424D-04-0.141D-03
 Coeff-Com: -0.805D-03-0.300D-03 0.132D-01 0.122D-01-0.705D-01-0.127D+00
 Coeff-Com:  0.255D+00 0.918D+00
 Coeff:      0.126D-07-0.185D-05 0.102D-05 0.243D-04 0.424D-04-0.141D-03
 Coeff:     -0.805D-03-0.300D-03 0.132D-01 0.122D-01-0.705D-01-0.127D+00
 Coeff:      0.255D+00 0.918D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.52D-09 MaxDP=1.42D-07 DE=-2.84D-12 OVMax= 1.82D-07

 SCF Done:  E(RM11) =  -385.580760516     A.U. after   14 cycles
            NFock= 14  Conv=0.45D-08     -V/T= 2.0119
 KE= 3.810406929522D+02 PE=-1.744075901863D+03 EE= 5.525714971000D+02
 Leave Link  502 at Thu Aug 12 21:45:37 2021, MaxMem=  5368709120 cpu:             767.9 elap:              96.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.79925361D+02

 Leave Link  801 at Thu Aug 12 21:45:37 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 3.59D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.75D-01 6.35D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 2.67D-02 5.12D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.30D-03 1.22D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 1.83D-04 2.13D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 9.54D-06 3.79D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 3.62D-07 7.66D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 8.94D-09 1.56D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.67D-10 1.96D-06.
     10 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 4.00D-12 2.50D-07.
      7 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 8.56D-14 3.29D-08.
      1 vectors produced by pass 11 Test12= 1.26D-13 8.33D-09 XBig12= 1.39D-14 9.58D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   117 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.126242D+03
      2  0.887577D+00  0.102167D+03
      3 -0.170428D+01  0.561355D+01  0.718591D+02
 Isotropic polarizability for W=    0.085645      100.09 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.909306D+02 -0.415936D+01  0.792143D+01
      2   0.309609D+02  0.104115D+02  0.755154D+01
      3   0.599697D+02 -0.625218D+01 -0.154730D+02
      4   0.143830D+02 -0.796617D+02 -0.254609D+02
      5  -0.181028D+02 -0.260901D+02  0.235967D+02
      6  -0.106481D+02 -0.146378D+02  0.926029D+01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.423963D+00 -0.810897D+01 -0.259051D+01
      2   0.113416D+02 -0.100610D+02  0.758498D+01
      3   0.236192D+01  0.397720D+02  0.951241D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.629155D+00 -0.221893D+02 -0.155125D+02
      2   0.260243D+02 -0.148129D+02 -0.363730D+02
      3   0.185424D+02  0.110623D+03  0.154420D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.431569D+00 -0.328791D+00  0.435886D+00
      2  -0.328791D+00  0.126497D+01 -0.255805D+01
      3   0.435886D+00 -0.255805D+01 -0.958002D+00
 OR G Eigenvalues:    -2.6512    -0.4926     3.0193  Iso=     0.0415
 Eigenvectors:
   (1)  -0.084478   0.539933   0.837458
   (2)   0.985438   0.169742  -0.010032
   (3)  -0.147568   0.824415  -0.546410
 w=    0.085645 a.u., Optical Rotation Beta=      0.0415 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       16.12 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 6.60D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 8.13D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.74D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 4.06D-02 3.66D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 1.43D-03 6.02D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 3.08D-05 9.68D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 4.83D-07 8.93D-05.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 4.46D-09 1.05D-05.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 4.14D-11 1.25D-06.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 3.94D-13 9.79D-08.
     15 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 3.45D-15 5.82D-09.
      4 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 1.15D-15 5.00D-09.
      3 vectors produced by pass 10 Test12= 2.11D-14 2.78D-09 XBig12= 8.92D-16 3.55D-09.
      1 vectors produced by pass 11 Test12= 2.11D-14 2.78D-09 XBig12= 6.50D-16 3.65D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 3.11D-15
 Solved reduced A of dimension   263 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.60D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 7.60D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 5.78D+02
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126242D+03  0.887577D+00 -0.170428D+01
      2   0.887577D+00  0.102167D+03  0.561355D+01
      3  -0.170428D+01  0.561355D+01  0.718591D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.423963D+00 -0.810897D+01 -0.259051D+01
      2   0.113416D+02 -0.100610D+02  0.758498D+01
      3   0.236192D+01  0.397720D+02  0.951241D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.909306D+02 -0.415936D+01  0.792143D+01
      2   0.309609D+02  0.104115D+02  0.755154D+01
      3   0.599697D+02 -0.625218D+01 -0.154730D+02
      4   0.143830D+02 -0.796617D+02 -0.254609D+02
      5  -0.181028D+02 -0.260901D+02  0.235967D+02
      6  -0.106481D+02 -0.146378D+02  0.926029D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.524044D+01 -0.103711D+01  0.242369D+01 -0.214796D+01  0.200696D+01
      2  -0.103711D+01  0.787602D+00 -0.341129D+00  0.200696D+01 -0.295485D+01
      3   0.242369D+01 -0.341129D+00  0.274272D+01 -0.989380D+00  0.893375D-01
                 6             7             8             9            10 
      1  -0.989380D+00  0.503669D+01 -0.846678D+00  0.370421D+01 -0.285997D+01
      2   0.893375D-01 -0.846678D+00 -0.109521D+01 -0.296057D+01 -0.948163D-01
      3  -0.323450D+01  0.370421D+01 -0.296057D+01  0.333921D+01 -0.475237D+00
                11            12            13            14            15 
      1  -0.948163D-01 -0.475237D+00 -0.868526D+00 -0.238251D+01  0.169955D+01
      2  -0.755727D+00  0.124643D+01 -0.238251D+01  0.383759D+01  0.295028D+01
      3   0.124643D+01 -0.223621D+01  0.169955D+01  0.295028D+01  0.245395D+00
                16            17            18            19            20 
      1  -0.276760D+01  0.165902D+01 -0.476957D+01 -0.562460D+00  0.478833D+00
      2   0.165902D+01  0.328217D+01  0.156681D+01  0.478833D+00 -0.427378D+00
      3  -0.476957D+01  0.156681D+01 -0.163316D+01  0.984812D-01 -0.374186D+00
                21            22            23            24            25 
      1   0.984812D-01  0.172163D+01 -0.141640D+00  0.223410D+00  0.119743D+01
      2  -0.374186D+00 -0.141640D+00  0.200371D+01  0.169871D+01 -0.154462D+00
      3  -0.118549D+01  0.223410D+00  0.169871D+01  0.280032D+01  0.214818D+00
                26            27            28            29            30 
      1  -0.154462D+00  0.214818D+00  0.295489D+00 -0.130230D+01 -0.756144D+00
      2   0.163624D+01  0.118625D+01 -0.130230D+01  0.118731D+01  0.216586D+00
      3   0.118625D+01  0.369198D+01 -0.756144D+00  0.216586D+00  0.722948D+00
                31            32            33            34            35 
      1  -0.237156D+01  0.189272D+01  0.348055D+00 -0.100718D+01  0.389534D+00
      2   0.189272D+01 -0.607677D+01 -0.176016D+01  0.389534D+00 -0.208674D+01
      3   0.348055D+00 -0.176016D+01 -0.170336D+01  0.110731D+01 -0.169614D+01
                36            37            38            39            40 
      1   0.110731D+01 -0.820237D+01  0.203718D+01  0.121841D+00  0.456242D+01
      2  -0.169614D+01  0.203718D+01  0.103308D+01 -0.108809D+01  0.135330D+01
      3  -0.151198D+01  0.121841D+00 -0.108809D+01  0.296627D+01 -0.150712D+01
                41            42            43            44            45 
      1   0.135330D+01 -0.150712D+01 -0.118801D+01 -0.136484D+01  0.262722D+01
      2  -0.336105D+01 -0.285379D+01 -0.136484D+01 -0.273181D+01 -0.549275D+00
      3  -0.285379D+01 -0.100778D+00  0.262722D+01 -0.549275D+00  0.453944D+01
                46            47            48            49            50 
      1   0.151385D+02 -0.154306D+01  0.496490D+00 -0.295651D+01 -0.125997D+01
      2  -0.154306D+01  0.254676D+01  0.468872D-01 -0.125997D+01 -0.645418D+00
      3   0.496490D+00  0.468872D-01  0.200265D+01 -0.138589D+01 -0.407561D+00
                51            52            53            54            55 
      1  -0.138589D+01 -0.147000D+01 -0.923491D+00  0.348661D+01  0.576767D+00
      2  -0.407561D+00 -0.923491D+00 -0.419013D+00 -0.348477D+00  0.696019D+00
      3  -0.147219D+00  0.348661D+01 -0.348477D+00 -0.263100D+00  0.531915D+00
                56            57            58            59            60 
      1   0.696019D+00  0.531915D+00  0.173559D+01  0.879913D+00 -0.468920D-01
      2   0.370738D-01  0.228110D+00  0.879913D+00  0.627447D+01  0.102999D+01
      3   0.228110D+00 -0.425150D+00 -0.468920D-01  0.102999D+01  0.162123D+01
                61            62            63            64            65 
      1   0.129379D+01  0.484606D+00 -0.233922D+00 -0.806468D-01 -0.126285D+00
      2   0.484606D+00  0.191082D+01  0.128237D+01 -0.126285D+00 -0.517531D+00
      3  -0.233922D+00  0.128237D+01  0.732547D+00 -0.106222D+01  0.357325D+00
                66            67            68            69            70 
      1  -0.106222D+01 -0.504039D+00 -0.138738D+00  0.147697D+00 -0.165564D+01
      2   0.357325D+00 -0.138738D+00  0.733664D+00 -0.985794D+00 -0.130521D+00
      3  -0.185957D+01  0.147697D+00 -0.985794D+00  0.554558D+00 -0.290725D-02
                71            72            73            74            75 
      1  -0.130521D+00 -0.290725D-02  0.129508D+02 -0.530756D+00 -0.143178D+01
      2  -0.113239D+01  0.117761D+01 -0.530756D+00  0.109867D+01 -0.638500D-02
      3   0.117761D+01 -0.864564D+01 -0.143178D+01 -0.638500D-02  0.122494D+01
                76            77            78            79            80 
      1  -0.239309D+01  0.116979D+01  0.502405D+00 -0.153818D+00  0.163537D+00
      2   0.116979D+01 -0.357042D+00  0.182148D+00  0.163537D+00  0.366993D+00
      3   0.502405D+00  0.182148D+00 -0.481925D+00  0.125603D+01 -0.580647D-01
                81            82            83            84            85 
      1   0.125603D+01 -0.436332D+01  0.233459D+01  0.185304D+00 -0.558099D+01
      2  -0.580647D-01  0.233459D+01  0.220423D+01  0.191089D+00  0.232938D+00
      3  -0.757387D+00  0.185304D+00  0.191089D+00  0.958829D+00 -0.202761D+00
                86            87            88            89            90 
      1   0.232938D+00 -0.202761D+00 -0.103867D+01 -0.515655D+00  0.941678D+00
      2  -0.145610D+01  0.811000D+00 -0.515655D+00  0.124061D+01 -0.354977D+01
      3   0.811000D+00 -0.180101D+01  0.941678D+00 -0.354977D+01 -0.225956D+01
                91            92            93            94            95 
      1   0.164960D+01 -0.503116D+00  0.636937D-01 -0.485824D+01  0.845695D+00
      2  -0.503116D+00 -0.266747D+01 -0.572848D+00  0.845695D+00 -0.520794D+00
      3   0.636937D-01 -0.572848D+00 -0.155458D+01  0.626531D+00  0.103201D+01
                96            97            98            99           100 
      1   0.626531D+00 -0.923663D+00  0.651631D+00 -0.278240D+01 -0.469453D+01
      2   0.103201D+01  0.651631D+00  0.136164D+01 -0.287421D+01  0.366552D-01
      3  -0.154271D+01 -0.278240D+01 -0.287421D+01 -0.125488D+01 -0.232302D+00
               101           102           103           104           105 
      1   0.366552D-01 -0.232302D+00  0.606634D+00  0.286994D+00  0.128181D+01
      2  -0.319790D+01 -0.140478D+00  0.286994D+00 -0.192554D+00 -0.482931D+00
      3  -0.140478D+00 -0.252320D+01  0.128181D+01 -0.482931D+00  0.222166D+00
               106           107           108           109           110 
      1  -0.260396D-01  0.109488D+01 -0.495985D+01  0.348391D+01 -0.468136D+00
      2   0.109488D+01 -0.106827D+00  0.424943D+00 -0.468136D+00 -0.161190D+01
      3  -0.495985D+01  0.424943D+00  0.544314D+00 -0.211948D+00  0.183114D+00
               111           112           113           114           115 
      1  -0.211948D+00  0.462502D+01 -0.801756D-01  0.295057D+00  0.105664D+01
      2   0.183114D+00 -0.801756D-01  0.115133D+01 -0.874728D+00  0.509452D+00
      3  -0.946901D+00  0.295057D+00 -0.874728D+00  0.178372D+01 -0.173025D+01
               116           117           118           119           120 
      1   0.509452D+00 -0.173025D+01 -0.344046D+01 -0.667614D+00 -0.853017D-02
      2  -0.119919D+01  0.345238D+01 -0.667614D+00  0.290218D+01  0.427236D+00
      3   0.345238D+01  0.221555D+01 -0.853017D-02  0.427236D+00  0.157671D+01
               121           122           123           124           125 
      1   0.741859D+01  0.156613D+00  0.554776D-02  0.162500D+01 -0.773863D-01
      2   0.156613D+00  0.124633D+01 -0.544373D+00 -0.773863D-01 -0.108970D+01
      3   0.554776D-02 -0.544373D+00  0.164981D+01  0.190377D+01  0.299241D+01
               126           127           128           129           130 
      1   0.190377D+01  0.162037D+01 -0.181846D+01 -0.397376D+00 -0.150364D+01
      2   0.299241D+01 -0.181846D+01  0.217278D+01  0.427923D+00  0.200966D+01
      3   0.124319D+01 -0.397376D+00  0.427923D+00  0.346197D+00  0.410614D+00
               131           132           133           134           135 
      1   0.200966D+01  0.410614D+00 -0.435787D+00  0.501378D+00  0.573754D-01
      2  -0.863705D+01 -0.148778D+01  0.501378D+00 -0.166075D+01 -0.491110D+00
      3  -0.148778D+01 -0.120857D+01  0.573754D-01 -0.491110D+00 -0.292245D+00
               136           137           138           139           140 
      1  -0.499255D+01 -0.383450D+01 -0.627803D+00 -0.366067D+01 -0.436055D+01
      2  -0.383450D+01 -0.352970D+01 -0.451711D+00 -0.436055D+01 -0.658718D+01
      3  -0.627803D+00 -0.451711D+00 -0.705669D+00 -0.756637D+00 -0.968739D+00
               141           142           143           144           145 
      1  -0.756637D+00 -0.613486D+00 -0.753944D+00 -0.298184D+00 -0.131228D+02
      2  -0.968739D+00 -0.753944D+00 -0.122188D+01 -0.405053D+00  0.132543D+01
      3  -0.100358D+01 -0.298184D+00 -0.405053D+00 -0.222479D+00  0.599297D+00
               146           147           148           149           150 
      1   0.132543D+01  0.599297D+00  0.128875D+01 -0.168425D+01 -0.343327D+00
      2  -0.938945D+00 -0.148279D-01 -0.168425D+01  0.486280D+00  0.977241D-01
      3  -0.148279D-01 -0.106416D+01 -0.343327D+00  0.977241D-01  0.165685D+00
               151           152           153           154           155 
      1   0.470735D+00 -0.349114D+00 -0.222101D+00 -0.228473D+01  0.261204D+01
      2  -0.349114D+00  0.746638D-01  0.606841D-01  0.261204D+01 -0.273237D+01
      3  -0.222101D+00  0.606841D-01  0.441511D-01  0.570008D+00 -0.538488D+00
               156           157           158           159           160 
      1   0.570008D+00  0.223365D+01 -0.365250D+01 -0.743607D+00  0.515737D+00
      2  -0.538488D+00 -0.365250D+01  0.930053D+01  0.170028D+01 -0.785702D+00
      3  -0.486674D+00 -0.743607D+00  0.170028D+01  0.127627D+01 -0.247077D+00
               161           162           163           164           165 
      1  -0.785702D+00 -0.247077D+00  0.364803D+01  0.240540D+01  0.112625D+00
      2   0.184013D+01  0.548947D+00  0.240540D+01  0.240921D+01  0.203448D+00
      3   0.548947D+00  0.352817D+00  0.112625D+00  0.203448D+00  0.446326D+00
               166           167           168           169           170 
      1   0.265292D+01  0.286577D+01  0.434938D+00  0.838826D-01  0.447756D+00
      2   0.286577D+01  0.575491D+01  0.774376D+00  0.447756D+00  0.103024D+01
      3   0.434938D+00  0.774376D+00  0.904484D+00 -0.527601D-01  0.240254D+00
               171 
      1  -0.527601D-01
      2   0.240254D+00
      3   0.137226D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.489876D+00  0.379909D+01  0.173788D+01  0.793030D+00 -0.515499D+01
      2   0.152882D+01  0.890535D+00  0.116924D+02  0.242240D+01 -0.229300D+01
      3  -0.859180D+00 -0.783752D+01 -0.166742D+01 -0.345840D+01  0.633203D+01
                 6             7             8             9            10 
      1  -0.741441D+01  0.246778D+01  0.730334D+00  0.204261D+00  0.306554D+00
      2  -0.771356D+01  0.490234D+01 -0.738227D+01  0.561814D+01  0.175520D-01
      3   0.175031D+01 -0.328787D+01  0.216035D+01  0.523581D+01  0.411107D+01
                11            12            13            14            15 
      1   0.351100D+00 -0.445222D-02  0.118734D+01  0.655841D+00 -0.353834D+01
      2   0.637780D+00 -0.312666D+01  0.104064D+01  0.544988D+01  0.125517D+01
      3   0.248244D+01 -0.387116D+00  0.125757D+02 -0.749234D+01 -0.780868D+01
                16            17            18            19            20 
      1  -0.171901D+01  0.838932D+00 -0.140983D+01  0.198718D+01 -0.197934D+01
      2  -0.142272D+02  0.442050D+01 -0.475736D+01  0.366539D+01 -0.195066D+01
      3   0.171426D+00 -0.871742D+01 -0.145181D+01 -0.244679D+01  0.217165D+01
                21            22            23            24            25 
      1  -0.969601D+00 -0.151873D+01  0.548449D+01  0.342136D+01 -0.433740D+00
      2  -0.285140D+01 -0.275276D+01  0.490803D+01  0.704007D+01 -0.167374D+01
      3   0.104516D+01  0.332494D+01 -0.465173D+01 -0.445511D+01  0.105145D+00
                26            27            28            29            30 
      1   0.411870D+01  0.408784D+01 -0.689370D-03 -0.563869D+00  0.571781D+00
      2   0.337001D+01  0.815315D+01 -0.169257D+01  0.212840D+00  0.185522D+01
      3  -0.312922D+01 -0.360468D+01  0.336359D+01 -0.269372D+01 -0.765440D-01
                31            32            33            34            35 
      1  -0.133139D+00  0.157388D+01 -0.249326D+01  0.737577D+00  0.936241D+00
      2  -0.476290D+00 -0.315756D+01 -0.351482D+01  0.266292D+00 -0.306487D+01
      3   0.120105D+01  0.121394D+02  0.368729D+01  0.685034D+00  0.470735D+01
                36            37            38            39            40 
      1  -0.866963D+00 -0.255203D+01 -0.163260D+01 -0.127852D+01  0.695665D-01
      2  -0.242369D+01 -0.721770D+01 -0.535558D+00  0.107405D+02 -0.716358D-01
      3   0.304909D+01 -0.140745D+02 -0.603811D+01  0.355850D+01  0.478499D-01
                41            42            43            44            45 
      1   0.576046D+01  0.144060D+01  0.796735D+00  0.645651D+01 -0.443287D+01
      2  -0.642363D+01 -0.229688D+01  0.248057D+01 -0.338718D+01  0.162350D+02
      3   0.124760D+02  0.808964D+01  0.309791D+01  0.834140D+01  0.307150D+01
                46            47            48            49            50 
      1   0.538831D+00  0.259086D+00  0.325912D+00  0.935820D+00 -0.209575D+01
      2   0.173018D+01 -0.127071D+01 -0.760397D+00 -0.897886D+00 -0.100831D+01
      3  -0.132579D+01  0.406743D+01  0.760468D+00  0.146448D+02 -0.933817D+00
                51            52            53            54            55 
      1   0.165828D+01  0.100581D+01  0.953460D+01  0.184275D+01 -0.159709D+01
      2   0.298147D+00 -0.142715D+02 -0.736088D-01 -0.957729D+00  0.182771D+01
      3   0.182096D+01  0.569223D+00  0.666928D-01 -0.105164D+01 -0.356307D+01
                56            57            58            59            60 
      1  -0.335722D-01  0.431693D+00 -0.426105D-01 -0.781175D+01 -0.515363D+01
      2   0.887517D+00 -0.359804D+00  0.575578D+00  0.377156D+01  0.433574D+01
      3   0.832698D+00  0.462183D+00  0.278028D+01 -0.182995D+02 -0.424044D+01
                61            62            63            64            65 
      1  -0.375831D-01 -0.204491D+01 -0.272092D+01  0.904005D+00  0.119893D+01
      2  -0.125808D+01  0.344548D+01  0.194776D+01 -0.442435D+01  0.450654D+00
      3   0.145204D+01 -0.601190D+01 -0.439545D+01 -0.840311D-01  0.915993D+00
                66            67            68            69            70 
      1   0.117357D+01  0.600073D+00 -0.265115D+00 -0.345172D+00  0.585333D+00
      2  -0.525123D+01 -0.179186D+00 -0.251622D+01  0.171590D+01 -0.474495D+01
      3  -0.152859D+01  0.156820D+01 -0.200409D+01  0.239171D+01 -0.137125D+01
                71            72            73            74            75 
      1   0.268560D+01  0.513537D+01  0.153451D+01 -0.157995D+01 -0.632658D+00
      2   0.285404D+01 -0.222450D+02  0.801557D+01 -0.597406D+00  0.475036D+01
      3   0.253491D+01 -0.374312D+01  0.971269D+01 -0.671012D+01 -0.890435D+00
                76            77            78            79            80 
      1  -0.136003D+01  0.214336D+00 -0.805309D+00 -0.802153D+00  0.240316D+00
      2  -0.633340D+00  0.167101D+01 -0.128985D+01  0.180364D+01 -0.949826D-01
      3  -0.363604D+01  0.150850D+01 -0.812382D+00 -0.912627D+00 -0.952570D+00
                81            82            83            84            85 
      1   0.293332D+00 -0.674590D+00 -0.807428D+00  0.121250D+01 -0.113395D+01
      2  -0.113015D+01 -0.255442D+01  0.164535D+01 -0.900728D+00  0.148188D+01
      3   0.787059D+00  0.522335D+01 -0.535712D+01 -0.166003D+01  0.408428D+01
                86            87            88            89            90 
      1   0.280515D+00 -0.255253D+01  0.361723D+01  0.129925D+01 -0.524936D+00
      2   0.788876D+00  0.168141D+01 -0.125244D+02  0.155954D+01  0.276553D+01
      3  -0.512319D+01 -0.323683D+00 -0.188468D+01  0.923091D+00 -0.452580D+01
                91            92            93            94            95 
      1  -0.116954D+00  0.210729D+00 -0.198680D+01  0.114290D+01 -0.888428D-01
      2   0.952703D+00  0.128741D+01  0.255164D+01 -0.116137D+01 -0.254167D+01
      3  -0.327178D+01 -0.925535D+01 -0.140443D+01  0.656461D+01 -0.922259D+00
                96            97            98            99           100 
      1  -0.163378D+01 -0.559687D+01  0.402754D+01  0.931962D+00  0.112747D+00
      2   0.452694D+01 -0.325797D+01  0.895360D+01  0.302526D+01 -0.525204D+00
      3   0.173020D+01  0.115904D+01  0.229601D+01 -0.411929D+01  0.187969D+01
               101           102           103           104           105 
      1   0.186523D+00  0.792224D+00  0.435074D-01 -0.273573D+01  0.136158D+01
      2  -0.270893D+00  0.638441D+01 -0.389164D+01 -0.151562D+00 -0.119427D+01
      3  -0.617466D+01  0.870927D-01  0.112476D+02  0.160267D+01 -0.570519D+00
               106           107           108           109           110 
      1   0.176770D+01  0.103646D+02  0.238811D+01  0.494118D+00 -0.357981D+00
      2   0.605978D+01 -0.224471D+01 -0.112645D+01  0.126342D+01  0.245519D+01
      3   0.292013D+01  0.821158D-01  0.798162D+00 -0.177001D+01 -0.126558D+02
               111           112           113           114           115 
      1   0.186747D+01 -0.986923D+00  0.315454D+00 -0.262487D+01  0.457200D+01
      2   0.135461D+01  0.113140D+01  0.256213D+01 -0.402592D+01 -0.759740D+01
      3  -0.226986D+01  0.402401D+01  0.620254D+00 -0.169046D+01  0.397786D+00
               116           117           118           119           120 
      1   0.116597D+01 -0.988657D+00 -0.122460D+01 -0.567448D-01 -0.273417D+01
      2  -0.793560D+01 -0.396288D+01 -0.136983D+01  0.646956D+00 -0.159438D+01
      3  -0.297074D+01  0.419192D+01 -0.888621D+00 -0.847093D+00  0.393733D+00
               121           122           123           124           125 
      1   0.784138D+00 -0.524632D+00 -0.209585D+01 -0.658137D+01  0.325549D+01
      2   0.292420D+01 -0.365976D+00 -0.125688D+01 -0.122693D+02 -0.859032D+00
      3   0.260653D+01  0.456574D+01 -0.519658D+00 -0.190219D+01  0.459789D+00
               126           127           128           129           130 
      1   0.127200D+00  0.110970D-01 -0.169939D+00  0.152474D+01  0.338020D-01
      2  -0.112031D+00  0.130054D+01 -0.956362D+00  0.706674D-01 -0.115907D+01
      3   0.582884D+01 -0.606209D+01  0.396990D+01  0.999777D+00  0.665465D+01
               131           132           133           134           135 
      1   0.725879D+00 -0.409333D+01 -0.371749D+00  0.196937D+01 -0.375834D+00
      2   0.185834D+01 -0.108272D+00 -0.174069D+01  0.529396D+00  0.542393D-02
      3  -0.872198D+01 -0.190663D+01  0.135200D+01 -0.173474D+01 -0.299299D+00
               136           137           138           139           140 
      1   0.232012D+00  0.623081D+00 -0.222656D+01 -0.116450D+00  0.402364D+00
      2  -0.628691D-01 -0.433307D-01  0.286599D+01  0.750746D+00  0.134842D+01
      3  -0.152102D+01 -0.459691D+01 -0.210363D+00 -0.358153D+01 -0.109319D+02
               141           142           143           144           145 
      1  -0.321217D+01  0.706157D+00  0.136597D+01 -0.310902D+00 -0.106833D+00
      2   0.360463D+01 -0.717034D+00 -0.860764D-01  0.431682D+00 -0.972843D+00
      3  -0.126627D+01 -0.911353D+00 -0.218847D+01 -0.511507D+00  0.616850D+00
               146           147           148           149           150 
      1  -0.209374D+00  0.648524D+00  0.617515D-01 -0.453348D-01 -0.373510D+00
      2  -0.900163D-01  0.628531D+01  0.139414D+01 -0.303574D+00 -0.933342D+00
      3  -0.526202D+01  0.182913D+00 -0.378548D+01  0.145392D+01  0.238029D+00
               151           152           153           154           155 
      1  -0.311672D+00  0.625215D+00  0.505297D-01 -0.176234D+00 -0.762954D-01
      2  -0.216485D+01  0.385888D-01 -0.137289D+00 -0.274115D+00  0.359544D+00
      3  -0.123286D+01  0.484655D+00  0.157558D+00  0.617493D+00 -0.206840D+01
               156           157           158           159           160 
      1   0.164298D+01  0.264502D+00  0.280365D+00 -0.435147D+01 -0.494468D+00
      2   0.148418D+01  0.434226D+00 -0.235918D+01 -0.324904D+01 -0.427742D+00
      3  -0.210139D+00 -0.122263D+01  0.134335D+02  0.216259D+01 -0.446448D+00
               161           162           163           164           165 
      1   0.173317D+01 -0.571787D+00  0.817838D+00  0.838553D+00 -0.209651D+01
      2  -0.121640D+00 -0.736463D+00 -0.206278D+01 -0.953780D+00  0.738512D+00
      3   0.267309D+01  0.570652D+00  0.990359D+01  0.397671D+01  0.864703D-02
               166           167           168           169           170 
      1   0.230208D+00  0.223506D+00 -0.312334D+01  0.530836D+00  0.177710D+01
      2  -0.932031D+00 -0.123757D+01  0.112482D+01 -0.176899D+01 -0.360778D+00
      3   0.749083D+01  0.538844D+01  0.868948D+00  0.395387D-01  0.975597D+00
               171 
      1  -0.522126D-01
      2   0.261255D+00
      3   0.120059D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.199730D+02 -0.302994D+01  0.240457D+01 -0.298867D+01  0.436720D+01
      2  -0.139165D+02 -0.396477D+00 -0.752380D+01  0.467559D+00  0.417108D+01
      3  -0.605657D+01  0.342642D+01  0.511923D+01  0.252111D+01 -0.853828D+01
      4  -0.540949D+01  0.135495D+02 -0.242883D+01  0.160911D+02 -0.148732D+02
      5   0.160489D+02 -0.307334D+01  0.214546D+02 -0.692025D+01  0.310065D+01
      6  -0.470120D+01  0.510985D+01 -0.108959D+01  0.507919D+01 -0.947231D+01
                 6             7             8             9            10 
      1   0.738475D+01  0.333397D+01  0.479832D+01 -0.216787D+00  0.742803D+01
      2   0.356325D+01 -0.119918D+02  0.322543D+01 -0.118038D+02 -0.351470D+01
      3  -0.109480D+02  0.865787D+01 -0.802375D+01  0.120206D+02 -0.391333D+01
      4   0.999207D+00 -0.497619D+01 -0.159196D+01 -0.138226D+02 -0.333831D+01
      5  -0.127062D+02  0.285863D+02 -0.117072D+02  0.223158D+02 -0.470992D+01
      6   0.357932D+01 -0.432533D+01  0.683808D+01 -0.118389D+02  0.300693D+01
                11            12            13            14            15 
      1  -0.352460D+01  0.138076D+01 -0.940533D+01  0.960071D+00  0.545697D+01
      2   0.186161D+01  0.118753D+01  0.738528D+01 -0.573752D+01 -0.880538D+01
      3   0.166299D+01 -0.256828D+01  0.202005D+01  0.477745D+01  0.334841D+01
      4  -0.116456D+02  0.533574D+01 -0.138060D+02  0.176136D+02  0.144247D+02
      5   0.583726D+01 -0.160577D+02  0.113321D+02  0.137313D+02  0.253519D+00
      6   0.177142D+01  0.535555D+00  0.525957D+01 -0.594241D+01 -0.549577D+01
                16            17            18            19            20 
      1  -0.132438D+01  0.490480D+01 -0.501085D+01 -0.135590D+01  0.212658D+01
      2   0.716796D+01 -0.534554D+01  0.669289D+01  0.186439D+00  0.266706D+00
      3  -0.584358D+01  0.440741D+00 -0.168205D+01  0.116946D+01 -0.239329D+01
      4   0.104060D+02  0.144113D+02  0.633641D+01  0.177886D+01 -0.311104D+01
      5  -0.310107D+02  0.557595D+01 -0.884261D+01  0.723007D+00 -0.351545D+00
      6   0.324078D+01 -0.101264D+02  0.383054D+01  0.169126D+01 -0.194566D+01
                21            22            23            24            25 
      1   0.522670D+01  0.434658D+01 -0.616470D+01 -0.582673D+01  0.414866D+01
      2   0.800618D+00 -0.236133D+01 -0.229419D+00 -0.363718D+01 -0.208889D+01
      3  -0.602732D+01 -0.198525D+01  0.639412D+01  0.946391D+01 -0.205976D+01
      4  -0.151666D+01 -0.587392D+00  0.837297D+01  0.713064D+01 -0.104804D+01
      5  -0.257771D+01  0.302683D+01  0.526155D+01  0.100598D+02  0.380769D+01
      6  -0.110770D+01 -0.826297D+00  0.650029D+01  0.719320D+01 -0.731562D+00
                26            27            28            29            30 
      1  -0.338824D+01 -0.837409D+01  0.201846D+01 -0.329157D+01 -0.190729D+01
      2  -0.259035D+01 -0.571959D+01  0.189000D+01  0.384272D+00  0.540178D+00
      3   0.597859D+01  0.140937D+02 -0.390845D+01  0.290730D+01  0.136711D+01
      4   0.594382D+01  0.522483D+01 -0.804758D+01  0.104647D+02  0.229925D+01
      5   0.388004D+01  0.113206D+02 -0.382462D+01  0.217595D+01  0.519078D+01
      6   0.558527D+01  0.418712D+01  0.311374D+01 -0.193025D+01 -0.879602D+00
                31            32            33            34            35 
      1  -0.220530D+01 -0.973210D+01 -0.321712D+01 -0.157803D+01 -0.397079D+01
      2  -0.193336D+01  0.185062D+02  0.474005D+01  0.250992D+00  0.345888D+01
      3   0.413866D+01 -0.877405D+01 -0.152293D+01  0.132704D+01  0.511908D+00
      4   0.125858D+02 -0.271392D+02 -0.796507D+01  0.305219D+01 -0.953922D+01
      5   0.276643D+01 -0.713660D+01 -0.701567D+01  0.678121D+01 -0.672424D+01
      6  -0.303318D+01  0.106985D+02  0.762232D+01 -0.266402D+01  0.888950D+01
                36            37            38            39            40 
      1  -0.328746D+01 -0.524062D+02  0.724513D+01  0.975468D+01  0.176367D+02
      2   0.143023D+01  0.305907D+02 -0.290730D+01  0.129625D+01 -0.110068D+02
      3   0.185723D+01  0.218154D+02 -0.433783D+01 -0.110509D+02 -0.662989D+01
      4  -0.753978D+01  0.864601D+01  0.896149D+01 -0.437153D+01  0.999438D+01
      5  -0.606314D+01  0.112835D+02 -0.685810D+01  0.137259D+02 -0.127992D+02
      6   0.649835D+01 -0.508429D+01 -0.336307D+01  0.562011D+01 -0.468476D+01
                41            42            43            44            45 
      1   0.767930D+01 -0.406491D+01  0.103286D+01 -0.253089D+01  0.245855D+02
      2  -0.152484D+02 -0.280964D+01  0.206480D+01 -0.611361D+01  0.837083D+00
      3   0.756915D+01  0.687454D+01 -0.309765D+01  0.864450D+01 -0.254226D+02
      4  -0.159837D+02 -0.158756D+02 -0.798089D+01 -0.152538D+02  0.169832D+01
      5  -0.169193D+02  0.116293D+01  0.139705D+02 -0.106762D+01  0.135613D+02
      6  -0.194777D+01  0.426784D+01  0.397723D+01  0.329066D+01  0.417314D+01
                46            47            48            49            50 
      1  -0.189344D+02  0.336091D+01  0.153049D+01 -0.150097D+01 -0.109396D+02
      2   0.535671D+01 -0.235900D+01 -0.721555D+00  0.516731D+01  0.157470D+02
      3   0.135777D+02 -0.100190D+01 -0.808932D+00 -0.366634D+01 -0.480745D+01
      4  -0.733344D+00  0.474714D+01 -0.577779D+00 -0.125040D+02  0.245380D+01
      5   0.592733D+01 -0.639967D+00  0.333978D+01 -0.564876D+01 -0.817981D+00
      6  -0.262902D+01 -0.715583D-01 -0.206246D+01  0.232187D+01  0.473916D+01
                51            52            53            54            55 
      1  -0.122716D+01 -0.337281D-01 -0.157488D+01 -0.816334D+01  0.496463D+01
      2   0.632234D+01  0.301095D+01  0.315021D+01 -0.279012D+01  0.419069D+00
      3  -0.509519D+01 -0.297723D+01 -0.157533D+01  0.109535D+02 -0.538370D+01
      4  -0.116253D+01 -0.410045D+01 -0.785913D+00  0.233919D+00  0.370285D+01
      5   0.156760D+00  0.500838D+01  0.815621D-01 -0.743665D+00  0.118030D+01
      6  -0.188858D+01 -0.745356D+00  0.486417D+01 -0.275855D+01  0.864943D+00
                56            57            58            59            60 
      1   0.382355D+01  0.382527D+00  0.570021D+01 -0.996359D+01 -0.866953D+00
      2  -0.145953D+01 -0.906095D+00 -0.847711D+00  0.260323D+02  0.569473D+01
      3  -0.236402D+01  0.523568D+00 -0.485249D+01 -0.160687D+02 -0.482778D+01
      4   0.346511D+01  0.192846D+01  0.971331D+01  0.323727D+02  0.549054D+01
      5   0.682665D+00 -0.123795D+01 -0.102967D+01  0.634984D+01  0.816703D+01
      6   0.358485D+00 -0.110032D+01 -0.999984D+00 -0.370325D+01  0.443911D+01
                61            62            63            64            65 
      1   0.432464D+01 -0.290198D+00 -0.488513D+01 -0.124838D+01  0.758138D+00
      2  -0.211618D+01  0.578009D+01  0.390308D+01 -0.310291D+01 -0.477468D+00
      3  -0.220846D+01 -0.548989D+01  0.982051D+00  0.435129D+01 -0.280671D+00
      4   0.469542D+01  0.103884D+02  0.584749D+01 -0.166695D+01 -0.161848D+01
      5  -0.442035D+00  0.631569D+01  0.472986D+01 -0.203554D+01  0.966728D+00
      6  -0.157045D+00  0.376231D+01  0.260915D+01 -0.100594D+01  0.232711D+01
                66            67            68            69            70 
      1  -0.110870D+02 -0.169905D+01 -0.582257D+01  0.302396D+01 -0.835805D+01
      2  -0.152944D+00  0.100528D+01  0.212574D+01 -0.145782D+01  0.401517D+01
      3   0.112400D+02  0.693772D+00  0.369683D+01 -0.156614D+01  0.434288D+01
      4  -0.631072D+00  0.495593D+00  0.295843D+01 -0.367981D+01 -0.290019D+01
      5  -0.167675D+01  0.898216D+00 -0.278982D+01  0.220526D+01  0.715224D+01
      6  -0.277315D+01  0.593721D+00 -0.247004D+01  0.794959D+01  0.236007D-01
                71            72            73            74            75 
      1   0.384212D+01 -0.274350D+02  0.869978D+02 -0.488326D+01 -0.705187D+01
      2  -0.133176D+00 -0.144677D+02 -0.480804D+02  0.368741D+01  0.626302D+01
      3  -0.370895D+01  0.419027D+02 -0.389174D+02  0.119585D+01  0.788853D+00
      4  -0.466338D+01  0.262072D+01  0.344528D+01  0.102427D+02 -0.444913D+00
      5   0.490346D+01 -0.338460D+02 -0.247260D+02  0.106002D+01  0.127466D+02
      6   0.741297D+01 -0.125880D+02  0.118693D+01 -0.267991D+01  0.805733D+00
                76            77            78            79            80 
      1  -0.145806D+02  0.775906D+01  0.126309D+01 -0.674219D-01  0.191173D+00
      2   0.894289D+01 -0.228056D+01 -0.109339D+01  0.242875D+01  0.434974D+00
      3   0.563774D+01 -0.547850D+01 -0.169699D+00 -0.236132D+01 -0.626147D+00
      4   0.103668D+02 -0.255111D+01  0.672054D+00  0.723728D+00  0.148292D+01
      5   0.547114D+01 -0.792388D+00 -0.337871D+01  0.123334D+02 -0.834052D+00
      6  -0.268458D+01  0.144296D+01  0.769729D+00  0.539898D+00  0.775378D+00
                81            82            83            84            85 
      1   0.577238D+01  0.122042D+02  0.115361D+02  0.186762D+01  0.419751D+00
      2  -0.588732D+01 -0.916681D+01 -0.895286D+01  0.231970D+00  0.757370D+01
      3   0.114937D+00 -0.303736D+01 -0.258328D+01 -0.209959D+01 -0.799345D+01
      4  -0.395442D+00  0.864056D+01 -0.171450D+02 -0.288573D+01  0.104680D+02
      5  -0.533264D+01 -0.854832D+00 -0.251207D+01 -0.432054D+01  0.866793D+00
      6  -0.473232D+00 -0.124657D+01 -0.330178D+00 -0.265782D+01  0.418226D+01
                86            87            88            89            90 
      1   0.101358D+02  0.445252D+01 -0.123389D+01  0.405909D+01 -0.145370D+02
      2  -0.147634D+02 -0.599632D+01  0.374268D+01 -0.933695D+01  0.546613D+00
      3   0.462758D+01  0.154379D+01 -0.250878D+01  0.527786D+01  0.139904D+02
      4   0.131752D+02  0.137524D+01 -0.429656D+00  0.168558D+01  0.598597D+01
      5   0.154664D+01  0.135562D+01  0.365977D+01  0.492855D+01  0.434197D+01
      6  -0.838045D+01  0.431670D+01 -0.198722D+01  0.140300D+02  0.360916D+01
                91            92            93            94            95 
      1  -0.167563D+01 -0.236276D+02 -0.543732D+01  0.251003D+02  0.558005D+01
      2  -0.136078D+01  0.153227D+02  0.930735D+00 -0.235505D+02 -0.875059D+01
      3   0.303641D+01  0.830492D+01  0.450659D+01 -0.154983D+01  0.317054D+01
      4  -0.169505D+02  0.239063D+01  0.833208D+00  0.102747D+01 -0.113340D+02
      5  -0.110849D+01 -0.167717D-01  0.539209D+01 -0.445687D+01 -0.690378D+01
      6  -0.169556D+00  0.189042D+01  0.493254D+01 -0.623357D+01 -0.606138D+01
                96            97            98            99           100 
      1   0.992701D+00  0.520410D+01  0.232326D+01  0.188809D+01 -0.150069D+02
      2  -0.125285D+01 -0.840805D+01 -0.616608D+01 -0.816638D+01  0.987482D+01
      3   0.260153D+00  0.320395D+01  0.384282D+01  0.627829D+01  0.513210D+01
      4  -0.762634D+01 -0.259481D+01 -0.823360D+01  0.132306D+02  0.285899D+01
      5   0.888720D+01  0.181895D+02  0.138482D+02  0.676658D+01  0.232919D+01
      6   0.306518D+01  0.659129D+01  0.108555D+02 -0.434719D+00  0.119644D+01
               101           102           103           104           105 
      1   0.438379D+01  0.271414D+01 -0.912465D+01 -0.219614D+02 -0.743378D+01
      2  -0.308979D+01 -0.115808D+01  0.821061D+01  0.188489D+02  0.834264D+01
      3  -0.129400D+01 -0.155605D+01  0.914039D+00  0.311244D+01 -0.908862D+00
      4   0.206837D+02  0.104502D+01 -0.191557D+02  0.408075D+01  0.321443D+01
      5   0.818817D+00  0.144982D+02 -0.102443D+02  0.128706D+01 -0.185202D+01
      6  -0.733528D-01 -0.178559D+01  0.282193D+01  0.410498D+01 -0.202786D+01
               106           107           108           109           110 
      1   0.824739D+00 -0.737530D+01  0.126500D+02  0.107598D+02  0.210914D+02
      2   0.166286D+01  0.600233D+01 -0.162651D+02 -0.106077D+02 -0.140437D+02
      3  -0.248760D+01  0.137298D+01  0.361507D+01 -0.152084D+00 -0.704772D+01
      4  -0.112617D+02  0.171954D+01 -0.321374D+01  0.168209D+02 -0.710646D+01
      5   0.331318D+02 -0.331020D+01 -0.206957D+01  0.408798D+01 -0.160139D+01
      6  -0.207376D+01  0.498609D+01 -0.360956D+01 -0.402580D+01 -0.374623D+00
               111           112           113           114           115 
      1   0.358506D+01 -0.189962D+02  0.120987D+02  0.364172D+01 -0.387475D+01
      2  -0.647665D+00  0.170406D+02 -0.163292D+02 -0.561742D+01  0.576650D+01
      3  -0.293739D+01  0.195555D+01  0.423049D+01  0.197570D+01 -0.189175D+01
      4  -0.287823D+01  0.104257D+02  0.470995D+01  0.526634D+01 -0.117396D+01
      5   0.690293D-01 -0.312086D+00  0.572607D+01 -0.834567D+01  0.118501D+02
      6  -0.381304D+01  0.412095D+01 -0.932259D+01  0.444567D+01 -0.591750D+01
               116           117           118           119           120 
      1   0.186030D+01 -0.526221D+01 -0.217097D+01 -0.172510D+02 -0.390320D+01
      2  -0.841782D+01 -0.403439D+01  0.711886D+00  0.131476D+02  0.298438D+00
      3   0.655752D+01  0.929660D+01  0.145908D+01  0.410342D+01  0.360477D+01
      4   0.807658D+01 -0.127573D+02 -0.132808D+02 -0.979623D+01 -0.491843D+00
      5  -0.132642D+02 -0.808996D+01 -0.314219D+01 -0.107270D+01 -0.298917D+01
      6   0.139244D+02  0.281518D+01  0.166629D+01  0.115722D+01  0.536975D+01
               121           122           123           124           125 
      1   0.485835D+01  0.415257D+01  0.327070D+01  0.805317D+00  0.430811D+01
      2  -0.143016D+02 -0.692914D+01 -0.296283D+01 -0.567833D+01 -0.642508D+01
      3   0.944328D+01  0.277657D+01 -0.307872D+00  0.487301D+01  0.211697D+01
      4   0.537221D+01 -0.141606D+02 -0.218630D+01  0.200944D+01 -0.184767D+01
      5   0.230867D+01 -0.208907D+01  0.491643D+00  0.244502D+01 -0.192743D+01
      6  -0.671948D+01 -0.512449D+01  0.409497D+01  0.532445D+01  0.109559D+02
               126           127           128           129           130 
      1  -0.141233D+02 -0.542768D+01  0.879883D+01  0.193952D+01  0.746262D+01
      2   0.813357D+00  0.693344D+01 -0.105302D+02 -0.143985D+01 -0.925297D+01
      3   0.133100D+02 -0.150576D+01  0.173133D+01 -0.499668D+00  0.179034D+01
      4  -0.328075D+01 -0.364464D+01  0.727602D+01  0.117863D+01  0.510870D+01
      5   0.118420D+01 -0.808364D+00  0.121451D+01  0.126036D+01  0.891158D+00
      6   0.687189D-01  0.207889D+01 -0.258138D+01 -0.239005D+01 -0.234610D+01
               131           132           133           134           135 
      1  -0.330769D+02 -0.630568D+01  0.168513D+01 -0.630518D+01 -0.297544D+01
      2   0.440339D+02  0.571675D+01 -0.184131D+01  0.730539D+01  0.344902D+01
      3  -0.109569D+02  0.588924D+00  0.156177D+00 -0.100022D+01 -0.473583D+00
      4   0.819961D+00  0.496960D+00  0.103168D+01  0.328405D+00 -0.146231D+01
      5   0.717176D+00  0.182232D+00  0.657256D+00 -0.611256D+00 -0.452759D+00
      6   0.103792D+02  0.806861D+01 -0.100335D+01  0.443440D+01  0.269729D+01
               136           137           138           139           140 
      1   0.221148D+02  0.138532D+02  0.235611D+01  0.888841D+01  0.331620D+01
      2  -0.443239D+01  0.631143D+00 -0.101420D+01  0.595028D+01  0.162927D+02
      3  -0.176824D+02 -0.144843D+02 -0.134192D+01 -0.148387D+02 -0.196089D+02
      4   0.326309D+02  0.297008D+02  0.389020D+01  0.326770D+02  0.431875D+02
      5   0.615727D+01  0.445262D+01  0.632361D+01  0.613121D+01  0.710202D+01
      6   0.245411D+01  0.206738D+01  0.341677D+01  0.380596D+01  0.537550D+01
               141           142           143           144           145 
      1   0.662208D+00  0.132038D+01  0.230217D+00  0.431790D-01  0.987266D+02
      2   0.589945D+00  0.715622D+00  0.204800D+01  0.124359D+01 -0.554434D+02
      3  -0.125215D+01 -0.203600D+01 -0.227821D+01 -0.128677D+01 -0.432832D+02
      4   0.612949D+01  0.565971D+01  0.699564D+01  0.408181D+01 -0.151245D+02
      5   0.646554D+01  0.303067D+01  0.352629D+01  0.180669D+01 -0.477689D+01
      6   0.607821D+01  0.235252D+01  0.348509D+01  0.201498D+01 -0.205703D+01
               146           147           148           149           150 
      1  -0.905544D+01 -0.394056D+01 -0.789554D+01  0.981460D+01  0.138279D+01
      2   0.438579D+01  0.265271D+01  0.329121D+01 -0.439178D+01 -0.111073D+01
      3   0.466965D+01  0.128786D+01  0.460433D+01 -0.542281D+01 -0.272054D+00
      4   0.993882D+01  0.252846D+00  0.159550D+02 -0.469491D+01 -0.935465D+00
      5   0.491446D-01  0.107525D+02  0.270379D+01 -0.831353D+00 -0.142576D+01
      6   0.109949D-01 -0.775643D+00 -0.396695D+00 -0.110738D+00  0.139805D+01
               151           152           153           154           155 
      1  -0.387958D+01  0.147034D+01  0.436441D+01  0.522387D+01 -0.471948D+01
      2   0.215298D+01 -0.767135D+00 -0.265354D+01  0.351475D+01 -0.507156D+01
      3   0.172660D+01 -0.703202D+00 -0.171087D+01 -0.873862D+01  0.979104D+01
      4   0.288634D+01 -0.987582D+00 -0.952747D+00 -0.184823D+02  0.227746D+02
      5   0.413540D+01 -0.666668D+00 -0.696515D+00 -0.354564D+01  0.386670D+01
      6  -0.296380D+00  0.655602D+00  0.228921D+00  0.262069D+01 -0.291335D+01
               156           157           158           159           160 
      1  -0.951115D+00  0.103379D+01 -0.162113D+02 -0.308065D+01  0.101432D+00
      2  -0.226592D+00 -0.112867D+02  0.381583D+02  0.468589D+01 -0.172494D+01
      3   0.117771D+01  0.102529D+02 -0.219470D+02 -0.160524D+01  0.162351D+01
      4   0.428041D+01  0.235702D+02 -0.464462D+02 -0.823648D+01  0.485501D+01
      5   0.415776D+01  0.416194D+01 -0.743947D+01 -0.605674D+01  0.206991D+01
      6  -0.274248D+01 -0.419536D+01  0.103444D+02  0.856439D+01 -0.215682D+01
               161           162           163           164           165 
      1  -0.280477D+01 -0.198984D+01 -0.386168D+01 -0.641118D+01 -0.113618D+01
      2   0.599759D+01  0.317202D+01  0.598603D+01  0.900880D+01  0.725532D+00
      3  -0.319282D+01 -0.118218D+01 -0.212435D+01 -0.259762D+01  0.410647D+00
      4  -0.920195D+01 -0.393301D+01  0.904158D+01  0.839443D+01  0.796378D+00
      5  -0.296250D+01 -0.226154D+01  0.906619D-01  0.615021D+00  0.180769D+01
      6   0.501834D+01  0.315358D+01  0.103918D+01  0.157046D+01  0.249700D+01
               166           167           168           169           170 
      1  -0.764209D+01 -0.201026D+02 -0.325082D+01 -0.129520D+01 -0.348986D+01
      2   0.106896D+02  0.269664D+02  0.257270D+01  0.200647D+01  0.415048D+01
      3  -0.304755D+01 -0.686378D+01  0.678113D+00 -0.711265D+00 -0.660616D+00
      4   0.844425D+01  0.832570D+01  0.763714D+00  0.114639D+01  0.107290D+01
      5   0.852899D+00  0.897444D+00  0.139315D+01  0.886013D+00  0.903197D+00
      6   0.223028D+01  0.456403D+01  0.541842D+01  0.896146D+00  0.252956D+01
               171 
      1  -0.949146D+00
      2   0.179399D+01
      3  -0.844840D+00
      4   0.209751D+01
      5   0.667105D+00
      6   0.143037D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:            7677.6 elap:             962.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.46046 -10.49579 -10.45418 -10.45096 -10.45033
 Alpha  occ. eigenvalues --  -10.44956 -10.44891 -10.44790 -10.43157  -1.14563
 Alpha  occ. eigenvalues --   -1.00303  -0.91410  -0.88458  -0.85948  -0.76907
 Alpha  occ. eigenvalues --   -0.73550  -0.71073  -0.65822  -0.60398  -0.59480
 Alpha  occ. eigenvalues --   -0.56695  -0.55702  -0.54253  -0.53879  -0.51388
 Alpha  occ. eigenvalues --   -0.49510  -0.48174  -0.47402  -0.45142  -0.43173
 Alpha  occ. eigenvalues --   -0.39271  -0.35862  -0.35245
 Alpha virt. eigenvalues --    0.04510   0.05403   0.05640   0.06308   0.06552
 Alpha virt. eigenvalues --    0.07939   0.08807   0.09109   0.11558   0.12378
 Alpha virt. eigenvalues --    0.13092   0.14512   0.15630   0.15945   0.18068
 Alpha virt. eigenvalues --    0.18654   0.19831   0.20364   0.20741   0.21342
 Alpha virt. eigenvalues --    0.22023   0.23152   0.23354   0.24372   0.25307
 Alpha virt. eigenvalues --    0.26619   0.28074   0.28537   0.28807   0.29383
 Alpha virt. eigenvalues --    0.30028   0.30392   0.31329   0.32099   0.32839
 Alpha virt. eigenvalues --    0.33355   0.33947   0.33974   0.35026   0.35471
 Alpha virt. eigenvalues --    0.36172   0.36860   0.37406   0.37984   0.39059
 Alpha virt. eigenvalues --    0.39470   0.39717   0.40712   0.41393   0.42075
 Alpha virt. eigenvalues --    0.42232   0.42872   0.42966   0.43589   0.43831
 Alpha virt. eigenvalues --    0.44751   0.45103   0.45478   0.46516   0.46920
 Alpha virt. eigenvalues --    0.47622   0.47733   0.48166   0.48627   0.48776
 Alpha virt. eigenvalues --    0.49674   0.50750   0.51255   0.51900   0.52381
 Alpha virt. eigenvalues --    0.53470   0.53920   0.54598   0.55882   0.57287
 Alpha virt. eigenvalues --    0.57657   0.59031   0.59275   0.61180   0.61303
 Alpha virt. eigenvalues --    0.62157   0.62482   0.63176   0.64608   0.64918
 Alpha virt. eigenvalues --    0.66047   0.66217   0.67925   0.68095   0.68797
 Alpha virt. eigenvalues --    0.70753   0.70872   0.71381   0.73237   0.74246
 Alpha virt. eigenvalues --    0.74985   0.75710   0.76486   0.77384   0.79426
 Alpha virt. eigenvalues --    0.80548   0.80945   0.83136   0.83790   0.84690
 Alpha virt. eigenvalues --    0.85832   0.87414   0.88812   0.90911   0.96295
 Alpha virt. eigenvalues --    0.98110   0.98457   1.01802   1.02610   1.03313
 Alpha virt. eigenvalues --    1.04600   1.05273   1.05970   1.06900   1.08052
 Alpha virt. eigenvalues --    1.09206   1.11140   1.11931   1.13443   1.13628
 Alpha virt. eigenvalues --    1.15024   1.16235   1.18504   1.19437   1.20727
 Alpha virt. eigenvalues --    1.21694   1.25014   1.26217   1.26444   1.27871
 Alpha virt. eigenvalues --    1.28328   1.29337   1.31158   1.31459   1.33725
 Alpha virt. eigenvalues --    1.35300   1.37633   1.40419   1.41552   1.44232
 Alpha virt. eigenvalues --    1.46113   1.51568   1.54598   1.58249   1.59664
 Alpha virt. eigenvalues --    1.63439   1.66071   1.67784   1.68575   1.69542
 Alpha virt. eigenvalues --    1.71707   1.72604   1.75672   1.78165   1.80097
 Alpha virt. eigenvalues --    1.82846   1.84277   1.86302   1.89092   1.89502
 Alpha virt. eigenvalues --    1.91161   1.91979   1.94695   1.96207   1.97447
 Alpha virt. eigenvalues --    1.98420   1.99732   2.01576   2.03859   2.05975
 Alpha virt. eigenvalues --    2.09472   2.09975   2.10756   2.12102   2.12867
 Alpha virt. eigenvalues --    2.13726   2.16575   2.18212   2.18486   2.20258
 Alpha virt. eigenvalues --    2.21603   2.25716   2.26844   2.28412   2.32971
 Alpha virt. eigenvalues --    2.34301   2.36578   2.39648   2.41473   2.45037
 Alpha virt. eigenvalues --    2.46611   2.47515   2.48865   2.51800   2.52666
 Alpha virt. eigenvalues --    2.54272   2.54730   2.57993   2.62086   2.63790
 Alpha virt. eigenvalues --    2.66555   2.72471   2.74206   2.77669   2.85943
 Alpha virt. eigenvalues --    2.91525   2.92291   2.94586   2.95344   2.99905
 Alpha virt. eigenvalues --    3.06752   3.09243   3.10389   3.15973   3.17411
 Alpha virt. eigenvalues --    3.18540   3.21730   3.24737   3.29405   3.30384
 Alpha virt. eigenvalues --    3.32740   3.41048   3.60268   3.78332   4.01626
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.045410   0.248362   0.232085  -0.082078  -0.054482   0.002390
     2  C    0.248362   5.706884   0.129988   0.091641   0.496199  -0.094391
     3  H    0.232085   0.129988   0.531067   0.011785   0.003837  -0.108310
     4  H   -0.082078   0.091641   0.011785   1.174178  -0.098986  -0.107696
     5  C   -0.054482   0.496199   0.003837  -0.098986   4.327900  -0.094851
     6  C    0.002390  -0.094391  -0.108310  -0.107696  -0.094851   8.812101
     7  H   -0.028791   0.155191   0.008707   0.010653   0.271354  -0.103514
     8  H    0.007266   0.000835  -0.002386  -0.004773   0.299718   0.025386
     9  H    0.011596   0.119919  -0.005362  -0.048546   0.265462   0.008445
    10  C    0.032548  -0.366595  -0.014519  -0.082940   0.031168  -0.283448
    11  C   -0.005686   0.020280   0.001810   0.014434  -0.003306   0.430491
    12  C   -0.006163   0.056752   0.000778  -0.000974   0.004144  -0.198308
    13  C   -0.019057   0.060869   0.009328   0.014561   0.006750   0.295676
    14  C   -0.038506  -0.310674  -0.025559   0.128819  -0.095786  -0.761841
    15  H    0.020022  -0.243787  -0.003822  -0.000244  -0.007469  -0.750287
    16  H   -0.001114   0.010882   0.000110  -0.001519   0.000894  -0.015324
    17  H    0.000472  -0.005228  -0.000050   0.000006  -0.000410   0.109776
    18  H   -0.000491   0.010724  -0.000378  -0.000459   0.000700   0.089009
    19  H   -0.006484  -0.232022  -0.001080   0.028352  -0.038949  -0.852861
               7          8          9         10         11         12
     1  O   -0.028791   0.007266   0.011596   0.032548  -0.005686  -0.006163
     2  C    0.155191   0.000835   0.119919  -0.366595   0.020280   0.056752
     3  H    0.008707  -0.002386  -0.005362  -0.014519   0.001810   0.000778
     4  H    0.010653  -0.004773  -0.048546  -0.082940   0.014434  -0.000974
     5  C    0.271354   0.299718   0.265462   0.031168  -0.003306   0.004144
     6  C   -0.103514   0.025386   0.008445  -0.283448   0.430491  -0.198308
     7  H    0.857548  -0.030136  -0.077472  -0.001670  -0.000438   0.000316
     8  H   -0.030136   0.747881  -0.047851   0.005602   0.000109   0.000315
     9  H   -0.077472  -0.047851   0.739375  -0.006707  -0.000048  -0.000105
    10  C   -0.001670   0.005602  -0.006707   7.924653  -0.489588   0.438906
    11  C   -0.000438   0.000109  -0.000048  -0.489588   6.887681  -0.112707
    12  C    0.000316   0.000315  -0.000105   0.438906  -0.112707   6.806675
    13  C    0.001979   0.000304  -0.000989  -0.539315   0.578319  -0.258334
    14  C    0.017524  -0.032173  -0.012379   0.175996  -0.299305   0.447674
    15  H   -0.000210   0.003589  -0.001413  -0.211708  -0.227007  -0.079021
    16  H    0.000065  -0.000070   0.000010  -0.210407  -0.204578  -0.416022
    17  H   -0.000051  -0.000010  -0.000000  -0.083204  -0.217485   0.064266
    18  H   -0.000221   0.000660   0.000010   0.187719  -0.093509  -0.479666
    19  H    0.017200  -0.024847  -0.008818   0.024311   0.193645  -0.017180
              13         14         15         16         17         18
     1  O   -0.019057  -0.038506   0.020022  -0.001114   0.000472  -0.000491
     2  C    0.060869  -0.310674  -0.243787   0.010882  -0.005228   0.010724
     3  H    0.009328  -0.025559  -0.003822   0.000110  -0.000050  -0.000378
     4  H    0.014561   0.128819  -0.000244  -0.001519   0.000006  -0.000459
     5  C    0.006750  -0.095786  -0.007469   0.000894  -0.000410   0.000700
     6  C    0.295676  -0.761841  -0.750287  -0.015324   0.109776   0.089009
     7  H    0.001979   0.017524  -0.000210   0.000065  -0.000051  -0.000221
     8  H    0.000304  -0.032173   0.003589  -0.000070  -0.000010   0.000660
     9  H   -0.000989  -0.012379  -0.001413   0.000010  -0.000000   0.000010
    10  C   -0.539315   0.175996  -0.211708  -0.210407  -0.083204   0.187719
    11  C    0.578319  -0.299305  -0.227007  -0.204578  -0.217485  -0.093509
    12  C   -0.258334   0.447674  -0.079021  -0.416022   0.064266  -0.479666
    13  C    8.152353  -0.883600   0.210361  -0.065772  -0.251026  -0.295996
    14  C   -0.883600   7.732993   0.070986   0.149270  -0.039260  -0.253426
    15  H    0.210361   0.070986   2.143657  -0.533552   0.052866  -0.019850
    16  H   -0.065772   0.149270  -0.533552   2.415475  -0.515670   0.063263
    17  H   -0.251026  -0.039260   0.052866  -0.515670   1.981204  -0.519213
    18  H   -0.295996  -0.253426  -0.019850   0.063263  -0.519213   2.451117
    19  H   -0.483274   0.340695   0.044213  -0.018419   0.049044  -0.464087
              19
     1  O   -0.006484
     2  C   -0.232022
     3  H   -0.001080
     4  H    0.028352
     5  C   -0.038949
     6  C   -0.852861
     7  H    0.017200
     8  H   -0.024847
     9  H   -0.008818
    10  C    0.024311
    11  C    0.193645
    12  C   -0.017180
    13  C   -0.483274
    14  C    0.340695
    15  H    0.044213
    16  H   -0.018419
    17  H    0.049044
    18  H   -0.464087
    19  H    2.197663
 Mulliken charges:
               1
     1  O   -0.357297
     2  C    0.144169
     3  H    0.231973
     4  H   -0.046213
     5  C    0.686115
     6  C   -0.402443
     7  H   -0.098032
     8  H    0.050582
     9  H    0.064871
    10  C   -0.530803
    11  C   -0.473112
    12  C   -0.251346
    13  C   -0.533139
    14  C   -0.311445
    15  H    0.532676
    16  H    0.342478
    17  H    0.373975
    18  H    0.324095
    19  H    0.252897
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.125324
     2  C    0.097956
     5  C    0.703536
     6  C   -0.402443
    10  C    0.001873
    11  C   -0.130634
    12  C    0.122629
    13  C   -0.209044
    14  C   -0.058548
 Electronic spatial extent (au):  <R**2>=           1273.5831
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -1.1871    Y=              1.1772    Z=             -0.7806  Tot=              1.8451
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -53.8748   YY=            -50.4908   ZZ=            -56.9261
   XY=              2.9312   XZ=             -3.1293   YZ=              4.3893
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -0.1109   YY=              3.2731   ZZ=             -3.1622
   XY=              2.9312   XZ=             -3.1293   YZ=              4.3893
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -18.6511  YYY=             -1.7852  ZZZ=              7.4283  XYY=             -2.5393
  XXY=              5.1853  XXZ=             -7.2319  XZZ=              8.2623  YZZ=              3.4561
  YYZ=             -0.0813  XYZ=              4.2205
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1151.6327 YYYY=           -328.6231 ZZZZ=           -170.6272 XXXY=              9.2854
 XXXZ=            -21.0407 YYYX=             -3.1266 YYYZ=             11.1570 ZZZX=             13.0306
 ZZZY=              3.3088 XXYY=           -245.4753 XXZZ=           -245.4394 YYZZ=            -96.2485
 XXYZ=             18.7897 YYXZ=             -0.4480 ZZXY=              7.1417
 N-N= 4.248829512949D+02 E-N=-1.744075902136D+03  KE= 3.810406929523D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:               1.3 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.14971907D-01 4.30441933D-01-2.36946877D-01
 Polarizability= 1.20315009D+02 6.58091285D-01 9.70346880D+01
                -1.68596022D+00 5.91441758D+00 6.67553385D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.8548    0.8521        0.4385    0.4438
 2     -0.8548   -0.8521       -2.8051   -2.8068      -12.0512  -12.0378
 3     -0.4385   -0.4438       27.2021   27.1917        2.8064    2.8068
 4      2.8051    2.8068       -0.0000    0.0000       -0.4396   -0.4438
 5    -15.1509  -15.1539        0.4396    0.4438        0.8542    0.8521
 6     -2.8064   -2.8068       -0.8542   -0.8521       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -2.5564   -2.5564        1.3314    1.3314
 2      8.4203    8.4203        0.0000    0.0000        1.3314    1.3314
 3      8.4203    8.4203       -2.5564   -2.5564       -0.0000    0.0000
 4     -2.5564   -2.5564       -8.4203   -8.4203      -36.1135  -36.1135
 5     -1.3314   -1.3314       81.5751   81.5751        8.4203    8.4203
 6    -45.4616  -45.4616        1.3314    1.3314        2.5564    2.5564
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.2504    0.0000       -3.5913   -3.4086       -1.7070   -1.7752
 2      3.0859    3.4086       11.1087   11.2271       47.6439   48.1513
 3      1.8258    1.7752     -108.6740 -108.7668      -11.2835  -11.2271
 4    -10.7527  -11.2271       -0.1141    0.0000        1.6919    1.7752
 5     60.7466   60.6154       -1.8961   -1.7752       -2.9645   -3.4086
 6     11.3459   11.2271        3.2850    3.4086        0.0366    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0163    0.0000       -0.2613   -0.2286       -3.2031   -3.2326
 2      0.3856    0.2286       47.3328   47.3570       20.3734   20.9699
 3      3.5334    3.2326       18.7487   18.1769      -47.4507  -47.3570
 4    -47.0218  -47.3570        0.0571    0.0000        3.2326    3.2326
 5    -38.0590  -39.1468       -3.2793   -3.2326       -0.2698   -0.2286
 6     46.8203   47.3570        0.2627    0.2286       -0.0183    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -28.7293  -29.0088       -4.7917   -5.1227       -3.4067   -3.4650
 2   -102.3732 -103.2584       -1.9375   -2.0928       -3.3998   -3.4650
 3   -102.4628 -103.2584       -5.0078   -5.1227        0.4000    0.3699
 4     -2.8636   -3.0299       74.0375   74.2496       28.0529   28.3674
 5      4.0943    3.8349       32.1732   32.1423      -74.6257  -74.2496
 6    -58.8782  -60.5097       -3.7140   -3.8349        3.0992    3.0299
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0006    0.0006    0.0010    1.8448    3.3336    7.6452
 Low frequencies ---   16.5561  125.3398  198.2235
 Diagonal vibrational polarizability:
       68.2989721      24.6285691      65.0950305
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     16.5296               125.3396               198.2231
 Red. masses --      3.4791                 3.5210                 1.2501
 Frc consts  --      0.0006                 0.0326                 0.0289
 IR Inten    --      0.6745                 1.3222                90.6047
 RamAct Fr= 1--      3.3927                 4.0345                 0.5713
  Dep-P Fr= 1--      0.7497                 0.7500                 0.6059
  Dep-U Fr= 1--      0.8570                 0.8571                 0.7546
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0015
 Beta2  Fr= 1--      0.4846                 0.5763                 0.0718
 AlphaG Fr= 1--      0.0001                -0.0000                 0.0115
 Gamma2 Fr= 1--      0.0898                 0.0920                 0.5058
 Delta2 Fr= 1--      0.1065                 0.0773                 0.1047
 Raman1 Fr= 1--      13.571                 16.138                  2.285
 ROA1   Fr= 1--      12.025                 11.305                 51.911
 CID1   Fr= 1--       0.886                  0.700                 22.716
 Raman2 Fr= 1--       5.815                  6.916                  0.862
 ROA2   Fr= 1--       1.303                  1.590                 11.303
 CID2   Fr= 1--       0.224                  0.230                 13.109
 Raman3 Fr= 1--      11.630                 13.832                  1.724
 ROA3   Fr= 1--      12.025                 11.305                 51.911
 CID3   Fr= 1--       1.034                  0.817                 30.104
 RC180  Fr= 1--       0.714                  0.714                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04   0.21   0.07     0.21  -0.09  -0.06    -0.02  -0.05   0.00
     2   6    -0.00  -0.03   0.06    -0.00  -0.01   0.04    -0.01   0.01   0.01
     3   1     0.06   0.30  -0.05     0.47  -0.01  -0.01     0.80   0.48  -0.22
     4   1    -0.00  -0.11   0.23    -0.05   0.02  -0.04    -0.05  -0.01   0.03
     5   6    -0.05  -0.16  -0.15    -0.15   0.06  -0.02     0.06  -0.04   0.01
     6   6    -0.00  -0.04   0.05    -0.01  -0.02   0.18    -0.01   0.05  -0.01
     7   1    -0.10  -0.07  -0.34    -0.05   0.02   0.09     0.10  -0.03  -0.00
     8   1    -0.07  -0.37  -0.16    -0.37   0.17   0.06     0.07  -0.02   0.01
     9   1    -0.04  -0.11  -0.11    -0.15   0.06  -0.27     0.04  -0.10   0.02
    10   6    -0.02   0.01  -0.12    -0.01  -0.02   0.15     0.01   0.04  -0.02
    11   6    -0.02   0.03  -0.17    -0.02   0.02  -0.05     0.01  -0.01  -0.00
    12   6     0.00   0.01  -0.04    -0.03   0.05  -0.20    -0.02  -0.03   0.02
    13   6     0.02  -0.03   0.13    -0.02   0.02  -0.09    -0.05  -0.01   0.01
    14   6     0.02  -0.05   0.17    -0.02  -0.01   0.11    -0.04   0.04  -0.01
    15   1    -0.03   0.02  -0.22    -0.01  -0.03   0.21     0.04   0.05  -0.03
    16   1    -0.03   0.07  -0.29    -0.02   0.03  -0.11     0.03  -0.03  -0.00
    17   1     0.00   0.03  -0.07    -0.03   0.08  -0.39    -0.03  -0.06   0.05
    18   1     0.03  -0.04   0.23    -0.03   0.04  -0.18    -0.08  -0.02   0.02
    19   1     0.03  -0.08   0.30    -0.02  -0.02   0.16    -0.07   0.06  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    237.2947               255.0164               326.7848
 Red. masses --      2.3018                 1.0887                 4.8379
 Frc consts  --      0.0764                 0.0417                 0.3044
 IR Inten    --     19.1597                 3.0426                10.0136
 RamAct Fr= 1--      0.5695                 0.0867                 2.6877
  Dep-P Fr= 1--      0.4145                 0.7444                 0.2326
  Dep-U Fr= 1--      0.5861                 0.8535                 0.3774
 Alpha2 Fr= 1--      0.0040                 0.0000                 0.0334
 Beta2  Fr= 1--      0.0556                 0.0123                 0.1691
 AlphaG Fr= 1--     -0.0062                 0.0001                -0.0142
 Gamma2 Fr= 1--      0.5027                 0.0260                 0.2485
 Delta2 Fr= 1--      0.3150                -0.0150                 0.1159
 Raman1 Fr= 1--       2.278                  0.347                 10.751
 ROA1   Fr= 1--      58.342                  2.013                 27.567
 CID1   Fr= 1--      25.612                  5.807                  2.564
 Raman2 Fr= 1--       0.667                  0.148                  2.029
 ROA2   Fr= 1--       9.545                  0.743                  5.037
 CID2   Fr= 1--      14.300                  5.021                  2.483
 Raman3 Fr= 1--       1.335                  0.296                  4.057
 ROA3   Fr= 1--      58.342                  2.013                 27.567
 CID3   Fr= 1--      43.703                  6.803                  6.795
 RC180  Fr= 1--       0.172                  0.707                 -0.245
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.05  -0.06  -0.04    -0.01   0.03   0.01     0.32   0.12  -0.05
     2   6    -0.01   0.03  -0.01    -0.01   0.00   0.01     0.05  -0.02   0.01
     3   1    -0.38  -0.41   0.18    -0.15  -0.06   0.04    -0.01  -0.11   0.07
     4   1    -0.16   0.02  -0.04    -0.04  -0.02   0.03     0.06  -0.02   0.03
     5   6     0.11  -0.11  -0.07     0.03  -0.04  -0.01     0.19  -0.01   0.14
     6   6    -0.00   0.13   0.06    -0.00   0.02   0.00    -0.04  -0.08  -0.01
     7   1     0.06  -0.02  -0.28     0.49  -0.14   0.31     0.21  -0.06   0.25
     8   1     0.29  -0.32  -0.14    -0.33   0.34   0.13     0.40   0.14   0.08
     9   1     0.10  -0.15   0.16    -0.05  -0.35  -0.47     0.16  -0.12   0.34
    10   6     0.06   0.08   0.05     0.01   0.02  -0.01    -0.16  -0.01  -0.08
    11   6     0.05  -0.02  -0.01     0.01  -0.01  -0.01    -0.17   0.04  -0.02
    12   6    -0.04  -0.05  -0.04    -0.00  -0.02   0.01    -0.15   0.03   0.08
    13   6    -0.11  -0.00   0.01    -0.02  -0.01   0.00    -0.08  -0.02  -0.03
    14   6    -0.09   0.10   0.07    -0.01   0.02  -0.01    -0.08  -0.07  -0.09
    15   1     0.13   0.11   0.07     0.03   0.02  -0.02    -0.25  -0.04  -0.14
    16   1     0.11  -0.07  -0.04     0.03  -0.02  -0.02    -0.18   0.05  -0.03
    17   1    -0.06  -0.11  -0.11    -0.00  -0.04   0.03    -0.14   0.05   0.19
    18   1    -0.19  -0.03   0.00    -0.04  -0.01   0.01    -0.01   0.02  -0.04
    19   1    -0.14   0.14   0.09    -0.02   0.03  -0.02    -0.08  -0.07  -0.15
                      7                      8                      9
                      A                      A                      A
 Frequencies --    336.4176               413.5041               492.6240
 Red. masses --      3.2429                 2.9314                 3.3121
 Frc consts  --      0.2162                 0.2953                 0.4736
 IR Inten    --      4.0323                 0.0255                 6.6527
 RamAct Fr= 1--      0.2950                 0.0155                 4.7140
  Dep-P Fr= 1--      0.7142                 0.5440                 0.0856
  Dep-U Fr= 1--      0.8332                 0.7046                 0.1576
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0855
 Beta2  Fr= 1--      0.0410                 0.0018                 0.1238
 AlphaG Fr= 1--     -0.0014                 0.0017                 0.0608
 Gamma2 Fr= 1--     -0.8535                 0.0916                -0.1314
 Delta2 Fr= 1--     -0.2515                 0.0023                 0.0638
 Raman1 Fr= 1--       1.180                  0.062                 18.856
 ROA1   Fr= 1--     -89.985                  8.865                -10.576
 CID1   Fr= 1--     -76.248                142.944                 -0.561
 Raman2 Fr= 1--       0.492                  0.022                  1.486
 ROA2   Fr= 1--     -18.472                  2.179                 -3.664
 CID2   Fr= 1--     -37.569                 99.713                 -2.466
 Raman3 Fr= 1--       0.983                  0.044                  2.972
 ROA3   Fr= 1--     -89.985                  8.865                -10.576
 CID3   Fr= 1--     -91.508                202.859                 -3.559
 RC180  Fr= 1--       0.666                  0.409                 -0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.12   0.09  -0.10    -0.00   0.01  -0.00     0.03   0.12  -0.15
     2   6    -0.01   0.03  -0.14    -0.00  -0.00  -0.00    -0.17  -0.12  -0.06
     3   1    -0.01   0.24  -0.23    -0.01  -0.00   0.00    -0.07   0.11  -0.20
     4   1     0.03   0.04  -0.13    -0.01  -0.00  -0.00    -0.28  -0.16  -0.02
     5   6     0.18   0.03   0.01     0.01  -0.00   0.00    -0.12  -0.12   0.18
     6   6    -0.02  -0.05  -0.03    -0.00   0.00  -0.00    -0.06   0.05   0.04
     7   1     0.30  -0.02   0.14     0.01  -0.01   0.01    -0.23  -0.24   0.42
     8   1     0.33   0.23  -0.03    -0.00   0.01   0.00     0.16   0.14   0.10
     9   1     0.14  -0.15   0.12     0.00  -0.01  -0.01    -0.12  -0.11   0.45
    10   6    -0.04  -0.07   0.15    -0.00   0.04  -0.21     0.05   0.01  -0.00
    11   6    -0.04  -0.01   0.06     0.01  -0.04   0.21     0.07  -0.05  -0.03
    12   6    -0.02   0.04  -0.16    -0.00  -0.00  -0.00     0.12  -0.04   0.01
    13   6     0.02  -0.03   0.07    -0.01   0.04  -0.20     0.04   0.03  -0.01
    14   6     0.01  -0.08   0.15     0.01  -0.04   0.21     0.04   0.10   0.01
    15   1    -0.06  -0.11   0.26    -0.01   0.09  -0.44     0.16   0.06  -0.02
    16   1    -0.06  -0.00   0.09     0.01  -0.09   0.45     0.06  -0.03  -0.05
    17   1    -0.02   0.11  -0.38    -0.00  -0.00   0.00     0.12  -0.06   0.02
    18   1     0.05  -0.02   0.11    -0.01   0.08  -0.43    -0.05   0.00  -0.04
    19   1     0.05  -0.12   0.25     0.02  -0.08   0.46     0.05   0.09  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    543.1271               607.1570               638.6029
 Red. masses --      3.0795                 3.2153                 6.3389
 Frc consts  --      0.5352                 0.6983                 1.5231
 IR Inten    --      9.3841                15.1904                 0.0910
 RamAct Fr= 1--      0.6480                 1.1604                 4.4926
  Dep-P Fr= 1--      0.6374                 0.7138                 0.7347
  Dep-U Fr= 1--      0.7786                 0.8330                 0.8470
 Alpha2 Fr= 1--      0.0013                 0.0007                 0.0012
 Beta2  Fr= 1--      0.0841                 0.1611                 0.6342
 AlphaG Fr= 1--      0.0000                 0.0029                 0.0033
 Gamma2 Fr= 1--     -0.1914                 0.0304                 0.0753
 Delta2 Fr= 1--     -0.0647                 0.0358                -0.0174
 Raman1 Fr= 1--       2.592                  4.642                 17.971
 ROA1   Fr= 1--     -20.441                  4.067                  6.676
 CID1   Fr= 1--      -7.886                  0.876                  0.372
 Raman2 Fr= 1--       1.009                  1.933                  7.611
 ROA2   Fr= 1--      -4.075                  0.445                  1.947
 CID2   Fr= 1--      -4.039                  0.230                  0.256
 Raman3 Fr= 1--       2.018                  3.866                 15.222
 ROA3   Fr= 1--     -20.441                  4.067                  6.676
 CID3   Fr= 1--     -10.129                  1.052                  0.439
 RC180  Fr= 1--       0.557                  0.666                  0.694
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.08  -0.01  -0.05     0.08  -0.03   0.02    -0.01   0.00  -0.02
     2   6    -0.07   0.12  -0.01    -0.15   0.19   0.10     0.02  -0.03  -0.02
     3   1     0.03   0.01   0.00     0.20  -0.17   0.29    -0.04   0.02  -0.06
     4   1    -0.07   0.16  -0.10    -0.14   0.22   0.03     0.04  -0.04  -0.00
     5   6     0.07   0.05  -0.05    -0.00   0.01   0.00    -0.01  -0.04   0.02
     6   6    -0.05  -0.07   0.25    -0.15  -0.00  -0.09    -0.00  -0.13  -0.02
     7   1     0.26   0.13  -0.18     0.29   0.15  -0.24    -0.05  -0.06   0.07
     8   1     0.19  -0.02  -0.10     0.05  -0.17  -0.03    -0.01   0.01   0.02
     9   1     0.02  -0.19   0.06    -0.08  -0.32   0.07    -0.01  -0.01   0.02
    10   6    -0.01  -0.08   0.03    -0.03  -0.14  -0.09     0.21  -0.21  -0.04
    11   6    -0.01  -0.01  -0.12    -0.00  -0.10   0.05     0.29   0.21   0.03
    12   6     0.07  -0.03   0.17     0.15   0.02  -0.10     0.00   0.14   0.03
    13   6     0.04   0.04  -0.12     0.05   0.07   0.08    -0.22   0.26   0.05
    14   6     0.02  -0.03   0.04    -0.00   0.03  -0.05    -0.26  -0.17  -0.02
    15   1    -0.00  -0.02  -0.24     0.06  -0.13   0.06     0.05  -0.27  -0.07
    16   1    -0.08   0.10  -0.43    -0.14  -0.03   0.28     0.18   0.30   0.03
    17   1     0.07  -0.01   0.20     0.15   0.02  -0.06    -0.06  -0.28  -0.06
    18   1     0.02   0.10  -0.44    -0.02   0.01   0.28    -0.06   0.33   0.04
    19   1     0.09  -0.03  -0.24     0.16  -0.11   0.07    -0.15  -0.25  -0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    711.6872               767.4278               789.4734
 Red. masses --      1.6933                 3.0851                 2.2557
 Frc consts  --      0.5053                 1.0705                 0.8284
 IR Inten    --     47.7269                23.3696                10.1280
 RamAct Fr= 1--      0.0672                12.3169                 2.8470
  Dep-P Fr= 1--      0.7215                 0.0326                 0.0563
  Dep-U Fr= 1--      0.8382                 0.0632                 0.1067
 Alpha2 Fr= 1--      0.0000                 0.2535                 0.0554
 Beta2  Fr= 1--      0.0094                 0.1298                 0.0506
 AlphaG Fr= 1--     -0.0000                 0.0129                -0.0098
 Gamma2 Fr= 1--     -0.0607                -0.8194                -0.3818
 Delta2 Fr= 1--     -0.0433                -0.3927                -0.0326
 Raman1 Fr= 1--       0.269                 49.268                 11.388
 ROA1   Fr= 1--      -7.210                -91.227                -37.699
 CID1   Fr= 1--     -26.842                 -1.852                 -3.310
 Raman2 Fr= 1--       0.113                  1.557                  0.607
 ROA2   Fr= 1--      -1.110                -16.524                 -8.903
 CID2   Fr= 1--      -9.862                -10.610                -14.659
 Raman3 Fr= 1--       0.225                  3.115                  1.215
 ROA3   Fr= 1--      -7.210                -91.227                -37.699
 CID3   Fr= 1--     -32.021                -29.288                -31.037
 RC180  Fr= 1--       0.676                 -0.874                 -0.787
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01  -0.00   0.00     0.03  -0.01   0.09    -0.03  -0.00   0.01
     2   6    -0.00   0.00   0.00     0.10  -0.12  -0.05     0.05  -0.08  -0.03
     3   1     0.01  -0.02   0.02    -0.06   0.06  -0.07    -0.10   0.07  -0.13
     4   1     0.01   0.00   0.01     0.11  -0.16   0.06     0.02  -0.10  -0.01
     5   6     0.00  -0.00   0.00     0.07   0.03  -0.06     0.06   0.04  -0.06
     6   6    -0.01   0.02  -0.10    -0.09   0.03  -0.11    -0.02  -0.04   0.22
     7   1    -0.01  -0.00   0.00    -0.19  -0.07   0.11    -0.07  -0.03   0.07
     8   1    -0.01   0.00   0.01    -0.03   0.15  -0.01     0.08   0.16  -0.06
     9   1     0.00   0.00  -0.01     0.15   0.35  -0.17     0.09   0.19  -0.05
    10   6    -0.00  -0.02   0.06    -0.06  -0.11   0.04    -0.02  -0.02  -0.08
    11   6    -0.01   0.02  -0.14    -0.07  -0.13  -0.03    -0.02  -0.05  -0.00
    12   6     0.01  -0.01   0.07     0.14  -0.04   0.07     0.04   0.02  -0.13
    13   6    -0.01   0.04  -0.14    -0.06   0.16   0.03    -0.03   0.06   0.02
    14   6    -0.00  -0.01   0.07    -0.04   0.14   0.09    -0.02   0.07  -0.07
    15   1     0.02  -0.10   0.50     0.03  -0.06  -0.07     0.01  -0.02  -0.02
    16   1    -0.01  -0.04   0.22    -0.24   0.05  -0.32    -0.06  -0.10   0.47
    17   1     0.02  -0.11   0.55     0.12   0.02  -0.34     0.06  -0.13   0.52
    18   1    -0.00  -0.04   0.23    -0.28   0.14  -0.31    -0.09  -0.06   0.47
    19   1     0.02  -0.09   0.50     0.02   0.12  -0.04     0.00   0.05  -0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    855.8034               904.5879               929.3942
 Red. masses --      1.2486                 2.3693                 1.4970
 Frc consts  --      0.5388                 1.1423                 0.7619
 IR Inten    --      0.0318                19.4717                 7.1707
 RamAct Fr= 1--      0.7656                 4.4088                 1.2534
  Dep-P Fr= 1--      0.7496                 0.6321                 0.7220
  Dep-U Fr= 1--      0.8569                 0.7746                 0.8386
 Alpha2 Fr= 1--      0.0000                 0.0094                 0.0006
 Beta2  Fr= 1--      0.1093                 0.5692                 0.1752
 AlphaG Fr= 1--      0.0002                -0.0022                -0.0033
 Gamma2 Fr= 1--      0.0900                 1.2104                 0.2486
 Delta2 Fr= 1--      0.0629                 1.6147                -0.0509
 Raman1 Fr= 1--       3.063                 17.635                  5.014
 ROA1   Fr= 1--      10.658                167.867                 22.234
 CID1   Fr= 1--       3.480                  9.519                  4.435
 Raman2 Fr= 1--       1.312                  6.830                  2.102
 ROA2   Fr= 1--       1.657                 16.132                  6.373
 CID2   Fr= 1--       1.263                  2.362                  3.032
 Raman3 Fr= 1--       2.624                 13.660                  4.204
 ROA3   Fr= 1--      10.658                167.867                 22.234
 CID3   Fr= 1--       4.061                 12.289                  5.289
 RC180  Fr= 1--       0.714                  0.549                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00  -0.00     0.06  -0.03   0.17     0.02  -0.01   0.04
     2   6     0.00  -0.00   0.00    -0.16  -0.05  -0.09    -0.02   0.01  -0.03
     3   1    -0.00   0.00  -0.01     0.05   0.01   0.12     0.02  -0.00   0.04
     4   1     0.00   0.01  -0.01    -0.24  -0.14   0.11     0.00   0.00   0.00
     5   6    -0.00   0.00   0.00    -0.00   0.07  -0.16    -0.02  -0.01   0.00
     6   6    -0.00  -0.00  -0.00    -0.03   0.00  -0.00    -0.00   0.02  -0.09
     7   1     0.01   0.01  -0.01    -0.00  -0.11   0.23     0.00  -0.01   0.01
     8   1     0.00  -0.01  -0.00     0.45   0.56  -0.28     0.02   0.01  -0.01
     9   1    -0.00  -0.00   0.00    -0.02  -0.01   0.24    -0.02  -0.03   0.03
    10   6    -0.00   0.01  -0.08     0.02   0.03  -0.01     0.00  -0.02   0.10
    11   6    -0.00   0.01  -0.07     0.05   0.05   0.01     0.00   0.01  -0.01
    12   6    -0.00   0.00  -0.00    -0.02  -0.00   0.02    -0.00   0.02  -0.10
    13   6     0.00  -0.01   0.07     0.03  -0.05  -0.01     0.00  -0.00  -0.01
    14   6     0.00  -0.01   0.08     0.00  -0.03  -0.02     0.00  -0.02   0.11
    15   1     0.02  -0.09   0.51     0.02   0.02   0.10    -0.02   0.10  -0.54
    16   1     0.01  -0.09   0.46     0.11   0.01  -0.01     0.01  -0.00   0.01
    17   1    -0.00  -0.00   0.01    -0.02   0.01  -0.12     0.01  -0.11   0.58
    18   1    -0.01   0.09  -0.47     0.09  -0.02  -0.04     0.01  -0.01   0.01
    19   1    -0.02   0.09  -0.50     0.01  -0.06   0.08    -0.02   0.10  -0.54
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.2954               977.1083              1015.6811
 Red. masses --      1.3609                 1.2368                 1.9464
 Frc consts  --      0.7410                 0.6957                 1.1831
 IR Inten    --      0.0291                 0.5451                33.5969
 RamAct Fr= 1--      0.0719                 0.0694                25.7173
  Dep-P Fr= 1--      0.1751                 0.3946                 0.0692
  Dep-U Fr= 1--      0.2981                 0.5659                 0.1294
 Alpha2 Fr= 1--      0.0010                 0.0005                 0.4852
 Beta2  Fr= 1--      0.0036                 0.0065                 0.5548
 AlphaG Fr= 1--     -0.0098                 0.0010                -0.1064
 Gamma2 Fr= 1--     -0.1837                -0.0965                 0.2375
 Delta2 Fr= 1--      0.0632                 0.0744                 0.6158
 Raman1 Fr= 1--       0.288                  0.278                102.869
 ROA1   Fr= 1--     -15.613                 -6.883                 42.509
 CID1   Fr= 1--     -54.290                -24.788                  0.413
 Raman2 Fr= 1--       0.043                  0.079                  6.658
 ROA2   Fr= 1--      -4.914                 -2.911                  0.774
 CID2   Fr= 1--    -114.648                -37.046                  0.116
 Raman3 Fr= 1--       0.086                  0.157                 13.315
 ROA3   Fr= 1--     -15.613                 -6.883                 42.509
 CID3   Fr= 1--    -182.134                -43.803                  3.193
 RC180  Fr= 1--      -0.404                  0.132                 -0.741
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00    -0.00   0.00  -0.01    -0.03   0.01  -0.09
     2   6     0.00  -0.00  -0.00    -0.00  -0.00   0.01    -0.04   0.01   0.14
     3   1    -0.01   0.01  -0.01     0.00  -0.01   0.01     0.12  -0.14   0.21
     4   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.34  -0.13   0.31
     5   6    -0.00   0.00   0.00     0.01   0.00  -0.00     0.12  -0.02  -0.05
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.05   0.03  -0.01
     7   1     0.01   0.01  -0.00    -0.01  -0.00   0.01    -0.32  -0.14   0.15
     8   1     0.01  -0.01  -0.00    -0.00   0.01  -0.00    -0.13   0.16   0.05
     9   1    -0.01  -0.01   0.01     0.01   0.02  -0.01     0.24   0.51  -0.21
    10   6    -0.00   0.01  -0.08     0.00   0.01  -0.04    -0.03   0.06   0.02
    11   6     0.00  -0.02   0.09     0.00  -0.01   0.08     0.02   0.02   0.00
    12   6    -0.00  -0.00   0.01    -0.00   0.02  -0.08     0.09   0.00  -0.00
    13   6    -0.00   0.02  -0.09     0.00  -0.01   0.07     0.03  -0.05  -0.01
    14   6     0.00  -0.01   0.09    -0.00   0.00  -0.03    -0.07  -0.11  -0.00
    15   1     0.02  -0.08   0.44     0.01  -0.05   0.29    -0.00   0.08  -0.03
    16   1    -0.02   0.09  -0.47    -0.02   0.11  -0.53    -0.01   0.04   0.02
    17   1    -0.01   0.01  -0.04     0.02  -0.10   0.54     0.10   0.05   0.00
    18   1     0.02  -0.10   0.54    -0.01   0.09  -0.46     0.09  -0.04   0.03
    19   1    -0.01   0.09  -0.48     0.01  -0.05   0.25    -0.07  -0.09  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1027.9852              1054.3369              1077.6338
 Red. masses --      4.3642                 2.2617                 2.6523
 Frc consts  --      2.7173                 1.4813                 1.8147
 IR Inten    --      7.4611                10.7694                26.4820
 RamAct Fr= 1--     25.3125                19.5841                 4.2885
  Dep-P Fr= 1--      0.0544                 0.0452                 0.6920
  Dep-U Fr= 1--      0.1032                 0.0865                 0.8180
 Alpha2 Fr= 1--      0.4948                 0.3913                 0.0044
 Beta2  Fr= 1--      0.4355                 0.2824                 0.5846
 AlphaG Fr= 1--      0.0387                 0.0117                 0.0177
 Gamma2 Fr= 1--      0.0436                 0.1866                -0.6488
 Delta2 Fr= 1--      0.2417                -0.0674                -1.3090
 Raman1 Fr= 1--     101.250                 78.337                 17.154
 ROA1   Fr= 1--      11.923                 15.760               -104.174
 CID1   Fr= 1--       0.118                  0.201                 -6.073
 Raman2 Fr= 1--       5.226                  3.388                  7.016
 ROA2   Fr= 1--      -0.886                  5.019                 -5.099
 CID2   Fr= 1--      -0.170                  1.481                 -0.727
 Raman3 Fr= 1--      10.453                  6.777                 14.031
 ROA3   Fr= 1--      11.923                 15.760               -104.174
 CID3   Fr= 1--       1.141                  2.326                 -7.424
 RC180  Fr= 1--      -0.794                 -0.827                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02  -0.01   0.06     0.02  -0.00   0.02    -0.02   0.01  -0.09
     2   6     0.04  -0.02  -0.09    -0.00  -0.02  -0.03    -0.04  -0.19   0.19
     3   1    -0.11   0.11  -0.18    -0.07   0.06  -0.12    -0.02  -0.01  -0.07
     4   1     0.18   0.08  -0.23     0.04   0.02  -0.11     0.13  -0.15   0.17
     5   6    -0.06   0.02   0.04     0.01   0.02   0.03     0.01   0.15  -0.03
     6   6     0.04  -0.02   0.01    -0.04  -0.00   0.00    -0.04  -0.05  -0.06
     7   1     0.21   0.12  -0.13     0.05   0.08  -0.11     0.37   0.29  -0.26
     8   1     0.05  -0.15  -0.01    -0.07  -0.13   0.05     0.19   0.00  -0.11
     9   1    -0.15  -0.32   0.10     0.00  -0.03  -0.08    -0.06  -0.15   0.03
    10   6    -0.11   0.30   0.05    -0.06  -0.05  -0.01    -0.05   0.06   0.03
    11   6    -0.03  -0.05  -0.01     0.07   0.19   0.04     0.07   0.04   0.01
    12   6     0.28  -0.05  -0.02     0.13  -0.02  -0.01    -0.03  -0.06  -0.01
    13   6    -0.03   0.08   0.02     0.00  -0.19  -0.04    -0.03   0.05   0.01
    14   6    -0.17  -0.22  -0.04    -0.03   0.08   0.01     0.08   0.04   0.02
    15   1    -0.09   0.31   0.10    -0.38  -0.17  -0.01    -0.22   0.02  -0.06
    16   1     0.03  -0.08  -0.03    -0.20   0.40   0.08     0.25  -0.09  -0.03
    17   1     0.29  -0.10  -0.02     0.14  -0.06  -0.02    -0.07  -0.39  -0.06
    18   1    -0.05   0.06   0.01    -0.36  -0.34  -0.06    -0.17   0.00   0.00
    19   1    -0.10  -0.29  -0.02    -0.27   0.25   0.07     0.29  -0.11  -0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1090.3171              1121.3604              1185.8674
 Red. masses --      1.7098                 1.6908                 1.1182
 Frc consts  --      1.1976                 1.2527                 0.9265
 IR Inten    --     54.8284                 2.7275                 0.0557
 RamAct Fr= 1--      1.1100                 1.2172                 3.8998
  Dep-P Fr= 1--      0.6890                 0.6308                 0.7386
  Dep-U Fr= 1--      0.8159                 0.7736                 0.8497
 Alpha2 Fr= 1--      0.0012                 0.0026                 0.0008
 Beta2  Fr= 1--      0.1509                 0.1570                 0.5523
 AlphaG Fr= 1--      0.0054                 0.0083                 0.0017
 Gamma2 Fr= 1--     -0.4682                 1.6545                 0.0415
 Delta2 Fr= 1--     -0.4815                 0.3403                -0.0580
 Raman1 Fr= 1--       4.440                  4.869                 15.599
 ROA1   Fr= 1--     -60.353                169.718                  2.127
 CID1   Fr= 1--     -13.593                 34.857                  0.136
 Raman2 Fr= 1--       1.811                  1.883                  6.627
 ROA2   Fr= 1--      -7.384                 36.985                  1.460
 CID2   Fr= 1--      -4.076                 19.637                  0.220
 Raman3 Fr= 1--       3.623                  3.767                 13.254
 ROA3   Fr= 1--     -60.353                169.718                  2.127
 CID3   Fr= 1--     -16.660                 45.056                  0.161
 RC180  Fr= 1--       0.632                  0.547                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.05  -0.00  -0.06     0.01  -0.00  -0.02     0.00  -0.00  -0.00
     2   6     0.10   0.05   0.09    -0.02  -0.12   0.08     0.01   0.00   0.00
     3   1     0.16  -0.15   0.27    -0.11   0.07  -0.20    -0.01   0.01  -0.02
     4   1     0.26   0.00   0.25    -0.01  -0.08  -0.01    -0.01   0.00  -0.00
     5   6    -0.10  -0.04  -0.08    -0.01   0.08  -0.01    -0.00  -0.00  -0.00
     6   6     0.10  -0.02  -0.01     0.00   0.04  -0.02    -0.00   0.00  -0.00
     7   1     0.04  -0.18   0.28     0.22   0.18  -0.16     0.01  -0.00   0.00
     8   1     0.31   0.31  -0.19     0.10  -0.04  -0.05     0.01   0.01  -0.00
     9   1    -0.14  -0.22   0.36    -0.06  -0.15   0.01    -0.00   0.00   0.01
    10   6    -0.00  -0.01  -0.00     0.09  -0.04  -0.00    -0.01  -0.01  -0.00
    11   6    -0.04   0.00   0.00    -0.05  -0.04  -0.01     0.04  -0.03  -0.01
    12   6     0.05  -0.00  -0.00     0.01   0.07   0.01     0.01   0.07   0.01
    13   6    -0.03   0.00   0.00     0.04  -0.05  -0.01    -0.04  -0.02  -0.00
    14   6    -0.02   0.02   0.01    -0.10  -0.01   0.00     0.01  -0.01  -0.00
    15   1    -0.11  -0.06  -0.02     0.45   0.11  -0.03    -0.18  -0.08  -0.01
    16   1    -0.19   0.11   0.03    -0.21   0.08   0.02     0.40  -0.30  -0.07
    17   1     0.06   0.03   0.00     0.07   0.48   0.10     0.09   0.65   0.13
    18   1    -0.17  -0.06  -0.00     0.22   0.01  -0.01    -0.44  -0.17  -0.02
    19   1    -0.17   0.15   0.01    -0.37   0.19   0.04     0.13  -0.10  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1208.6295              1229.9690              1254.8482
 Red. masses --      1.1338                 1.9998                 1.6801
 Frc consts  --      0.9759                 1.7824                 1.5587
 IR Inten    --      0.1525                19.0416                 9.7728
 RamAct Fr= 1--      6.2011                17.4639                 9.7650
  Dep-P Fr= 1--      0.6434                 0.1057                 0.0406
  Dep-U Fr= 1--      0.7830                 0.1911                 0.0780
 Alpha2 Fr= 1--      0.0119                 0.3015                 0.1973
 Beta2  Fr= 1--      0.8092                 0.5564                 0.1269
 AlphaG Fr= 1--      0.0042                -0.0379                 0.0568
 Gamma2 Fr= 1--     -0.0150                -0.8085                -1.5226
 Delta2 Fr= 1--     -0.0061                -0.2706                 0.2434
 Raman1 Fr= 1--      24.804                 69.856                 39.060
 ROA1   Fr= 1--      -1.634                -86.272               -138.378
 CID1   Fr= 1--      -0.066                 -1.235                 -3.543
 Raman2 Fr= 1--       9.711                  6.676                  1.523
 ROA2   Fr= 1--      -0.310                -17.239                -38.489
 CID2   Fr= 1--      -0.032                 -2.582                -25.275
 Raman3 Fr= 1--      19.422                 13.353                  3.046
 ROA3   Fr= 1--      -1.634                -86.272               -138.378
 CID3   Fr= 1--      -0.084                 -6.461                -45.436
 RC180  Fr= 1--       0.566                 -0.618                 -0.844
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00     0.01  -0.01   0.01    -0.02   0.04  -0.00
     2   6     0.00  -0.00  -0.00    -0.09   0.01   0.04    -0.12  -0.06  -0.12
     3   1     0.00   0.00   0.00    -0.12   0.10  -0.22     0.36  -0.24   0.61
     4   1     0.01   0.00  -0.01    -0.71  -0.05  -0.08     0.25  -0.17   0.27
     5   6    -0.00  -0.00   0.00     0.02   0.03   0.01     0.05   0.04   0.05
     6   6    -0.01   0.00   0.00     0.24   0.03  -0.02     0.08  -0.09   0.01
     7   1     0.00  -0.00   0.00     0.00   0.07  -0.08    -0.04   0.11  -0.15
     8   1    -0.00   0.01   0.00    -0.03  -0.01   0.02    -0.12  -0.15   0.08
     9   1     0.01   0.03   0.01     0.01   0.02  -0.04     0.03  -0.02  -0.19
    10   6     0.05   0.02   0.00     0.01  -0.03  -0.00     0.04   0.03   0.00
    11   6    -0.03   0.03   0.01    -0.05  -0.05  -0.01    -0.04  -0.00   0.00
    12   6    -0.01   0.00   0.00     0.02   0.01   0.00     0.01  -0.01  -0.00
    13   6    -0.05  -0.02  -0.00    -0.07   0.05   0.01    -0.00   0.04   0.01
    14   6     0.05  -0.03  -0.01     0.06  -0.04  -0.01    -0.01   0.02   0.00
    15   1     0.47   0.19   0.02    -0.36  -0.19  -0.03     0.04   0.02   0.02
    16   1    -0.36   0.28   0.07    -0.28   0.11   0.03    -0.02  -0.02   0.00
    17   1    -0.01   0.01   0.00    -0.00  -0.08  -0.01     0.02   0.10   0.02
    18   1    -0.46  -0.19  -0.02    -0.20   0.00   0.01    -0.17  -0.03   0.01
    19   1     0.42  -0.31  -0.07    -0.06   0.06   0.00    -0.17   0.15   0.03
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1331.4029              1356.6980              1388.0265
 Red. masses --      2.6409                 1.8457                 1.3115
 Frc consts  --      2.7582                 2.0016                 1.4887
 IR Inten    --     15.4832                 4.6040                 4.1973
 RamAct Fr= 1--      0.7764                 0.8858                 2.8073
  Dep-P Fr= 1--      0.4247                 0.7187                 0.4857
  Dep-U Fr= 1--      0.5962                 0.8363                 0.6538
 Alpha2 Fr= 1--      0.0053                 0.0005                 0.0148
 Beta2  Fr= 1--      0.0771                 0.1235                 0.3059
 AlphaG Fr= 1--     -0.0173                -0.0000                -0.0022
 Gamma2 Fr= 1--      0.3934                 0.5884                -1.4409
 Delta2 Fr= 1--      0.2539                -0.2644                -0.5809
 Raman1 Fr= 1--       3.106                  3.543                 11.229
 ROA1   Fr= 1--      45.890                 48.023               -156.918
 CID1   Fr= 1--      14.777                 13.554                -13.974
 Raman2 Fr= 1--       0.926                  1.482                  3.671
 ROA2   Fr= 1--       7.411                 16.237                -29.935
 CID2   Fr= 1--       8.006                 10.959                 -8.154
 Raman3 Fr= 1--       1.851                  2.963                  7.342
 ROA3   Fr= 1--      45.890                 48.023               -156.918
 CID3   Fr= 1--      24.786                 16.206                -21.373
 RC180  Fr= 1--       0.192                  0.673                  0.308
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.02   0.02  -0.01     0.01  -0.00   0.00     0.00  -0.02  -0.00
     2   6     0.09  -0.06  -0.10    -0.06   0.01   0.03     0.09   0.05  -0.05
     3   1     0.20  -0.14   0.34    -0.03   0.03  -0.06    -0.08   0.03  -0.12
     4   1    -0.11  -0.32   0.38     0.25   0.14  -0.14    -0.49  -0.31   0.51
     5   6    -0.04   0.06   0.04     0.03  -0.01  -0.02    -0.01   0.06   0.01
     6   6    -0.02   0.22   0.05     0.02  -0.01  -0.00    -0.03  -0.06  -0.01
     7   1     0.15   0.11  -0.05    -0.11  -0.05   0.03     0.01   0.01   0.09
     8   1     0.07  -0.19  -0.01    -0.06   0.05   0.01    -0.06  -0.21   0.02
     9   1    -0.10  -0.18  -0.03     0.03   0.00   0.01    -0.08  -0.21   0.08
    10   6    -0.10  -0.06  -0.01    -0.13  -0.03  -0.00    -0.01  -0.01  -0.00
    11   6     0.11  -0.08  -0.02     0.06  -0.04  -0.01    -0.03   0.04   0.01
    12   6     0.01   0.10   0.02     0.02   0.13   0.03    -0.00   0.01   0.00
    13   6    -0.11  -0.08  -0.01    -0.07  -0.01   0.00     0.06   0.02   0.00
    14   6     0.05  -0.07  -0.01     0.13  -0.07  -0.02    -0.00  -0.00  -0.00
    15   1    -0.13  -0.08   0.00     0.48   0.22   0.03     0.24   0.09   0.02
    16   1    -0.21   0.16   0.04     0.14  -0.10  -0.02     0.21  -0.15  -0.04
    17   1    -0.01  -0.06  -0.01    -0.05  -0.32  -0.06    -0.03  -0.17  -0.03
    18   1     0.35   0.10   0.01    -0.19  -0.05  -0.00    -0.21  -0.09  -0.01
    19   1     0.20  -0.18  -0.03    -0.44   0.36   0.08    -0.14   0.10   0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1409.8979              1412.3693              1489.1476
 Red. masses --      1.2629                 1.2098                 1.1291
 Frc consts  --      1.4790                 1.4219                 1.4752
 IR Inten    --     14.4930                51.3750                 2.6136
 RamAct Fr= 1--      0.4005                 4.0634                 4.1922
  Dep-P Fr= 1--      0.7249                 0.7207                 0.6922
  Dep-U Fr= 1--      0.8405                 0.8377                 0.8181
 Alpha2 Fr= 1--      0.0002                 0.0021                 0.0042
 Beta2  Fr= 1--      0.0561                 0.5673                 0.5716
 AlphaG Fr= 1--      0.0006                -0.0068                -0.0267
 Gamma2 Fr= 1--     -0.2403                 2.0516                 1.7740
 Delta2 Fr= 1--      0.0724                 0.3501                -0.3312
 Raman1 Fr= 1--       1.602                 16.254                 16.769
 ROA1   Fr= 1--     -20.749                208.155                159.709
 CID1   Fr= 1--     -12.952                 12.807                  9.524
 Raman2 Fr= 1--       0.673                  6.807                  6.859
 ROA2   Fr= 1--      -6.346                 46.437                 45.226
 CID2   Fr= 1--      -9.425                  6.822                  6.594
 Raman3 Fr= 1--       1.347                 13.615                 13.718
 ROA3   Fr= 1--     -20.749                208.155                159.709
 CID3   Fr= 1--     -15.410                 15.289                 11.642
 RC180  Fr= 1--       0.681                  0.675                  0.636
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.01  -0.00     0.03  -0.05  -0.01    -0.01   0.01   0.00
     2   6     0.02   0.03  -0.02    -0.08   0.06  -0.01     0.03  -0.03  -0.01
     3   1    -0.04   0.01  -0.06    -0.25   0.13  -0.41     0.04  -0.03   0.09
     4   1    -0.03  -0.07   0.20     0.47  -0.12   0.62    -0.06  -0.03  -0.06
     5   6    -0.08  -0.09   0.08     0.03  -0.01  -0.00     0.03  -0.03  -0.01
     6   6     0.00  -0.01   0.00     0.02   0.01   0.01     0.01   0.04   0.01
     7   1     0.28   0.19  -0.41    -0.12   0.01  -0.07    -0.11   0.18  -0.47
     8   1     0.44   0.37  -0.08    -0.17   0.08   0.07    -0.40   0.52   0.17
     9   1     0.05   0.39  -0.37     0.01  -0.06   0.08    -0.01  -0.15   0.41
    10   6    -0.01  -0.00  -0.00     0.01   0.01   0.00     0.01  -0.02  -0.00
    11   6    -0.01   0.01   0.00     0.02  -0.02  -0.00    -0.04   0.01   0.00
    12   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01   0.03   0.01
    13   6     0.01   0.00  -0.00    -0.03  -0.00  -0.00     0.03  -0.01  -0.00
    14   6     0.00  -0.00  -0.00     0.01   0.00   0.00    -0.03  -0.00   0.00
    15   1     0.06   0.02   0.01    -0.11  -0.03   0.00     0.01  -0.03  -0.01
    16   1     0.05  -0.04  -0.01    -0.11   0.08   0.02     0.10  -0.09  -0.02
    17   1    -0.01  -0.06  -0.01     0.01   0.09   0.02    -0.02  -0.16  -0.03
    18   1    -0.05  -0.02  -0.00     0.09   0.04   0.00    -0.05  -0.05  -0.01
    19   1    -0.06   0.04   0.02     0.06  -0.04  -0.01     0.04  -0.06  -0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.2073              1497.1892              1535.4642
 Red. masses --      1.9079                 1.0551                 2.2007
 Frc consts  --      2.5064                 1.3935                 3.0570
 IR Inten    --     12.6097                 4.6448                 5.2699
 RamAct Fr= 1--      1.3974                 6.8935                 0.0222
  Dep-P Fr= 1--      0.6159                 0.6918                 0.5478
  Dep-U Fr= 1--      0.7623                 0.8178                 0.7078
 Alpha2 Fr= 1--      0.0034                 0.0070                 0.0001
 Beta2  Fr= 1--      0.1775                 0.9396                 0.0026
 AlphaG Fr= 1--      0.0037                -0.0335                 0.0002
 Gamma2 Fr= 1--     -3.9538                -1.1691                 0.1897
 Delta2 Fr= 1--      1.4956                -1.1580                -0.0661
 Raman1 Fr= 1--       5.590                 27.574                  0.089
 ROA1   Fr= 1--    -331.706               -149.292                 16.099
 CID1   Fr= 1--     -59.344                 -5.414                181.416
 Raman2 Fr= 1--       2.130                 11.275                  0.031
 ROA2   Fr= 1--    -106.857                -18.795                  5.082
 CID2   Fr= 1--     -50.156                 -1.667                161.818
 Raman3 Fr= 1--       4.261                 22.551                  0.063
 ROA3   Fr= 1--    -331.706               -149.292                 16.099
 CID3   Fr= 1--     -77.848                 -6.620                256.298
 RC180  Fr= 1--       0.525                  0.636                  0.416
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.05   0.02  -0.01    -0.02  -0.00  -0.02    -0.04   0.01   0.01
     3   1     0.03  -0.02   0.05     0.01  -0.00   0.01    -0.01   0.01  -0.03
     4   1    -0.34  -0.05  -0.02     0.03  -0.03   0.05    -0.01   0.01   0.01
     5   6     0.00  -0.02   0.00    -0.03  -0.02  -0.04     0.00   0.01   0.00
     6   6    -0.02  -0.14  -0.03     0.01   0.00   0.00     0.14  -0.02  -0.01
     7   1     0.04   0.09  -0.21     0.62  -0.01   0.13    -0.05  -0.02   0.05
     8   1    -0.18   0.21   0.08    -0.28  -0.20   0.06     0.05  -0.05  -0.02
     9   1     0.00   0.00   0.21     0.12   0.52   0.42    -0.00  -0.01  -0.08
    10   6    -0.08   0.05   0.01     0.00  -0.00  -0.00    -0.08  -0.09  -0.01
    11   6     0.12  -0.00  -0.00    -0.01   0.00   0.00    -0.10   0.12   0.03
    12   6    -0.01  -0.11  -0.02     0.01   0.01   0.00     0.10  -0.02  -0.01
    13   6    -0.11   0.02   0.01    -0.00  -0.01  -0.00    -0.13  -0.09  -0.01
    14   6     0.08   0.04   0.00    -0.01   0.00  -0.00    -0.05   0.10   0.02
    15   1     0.17   0.16   0.03     0.01  -0.00   0.00     0.42   0.10   0.01
    16   1    -0.19   0.25   0.05     0.02  -0.03  -0.01     0.40  -0.25  -0.06
    17   1     0.08   0.52   0.10    -0.00  -0.04  -0.01     0.13  -0.01  -0.01
    18   1     0.29   0.20   0.03     0.00  -0.01  -0.00     0.46   0.14   0.01
    19   1    -0.08   0.18   0.03    -0.01   0.01   0.01     0.40  -0.22  -0.05
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1630.0229              1649.5970              3036.3904
 Red. masses --      5.3991                 5.5652                 1.0354
 Frc consts  --      8.4520                 8.9226                 5.6246
 IR Inten    --      0.7558                 0.8799                12.8307
 RamAct Fr= 1--      7.8483                29.7532               179.8302
  Dep-P Fr= 1--      0.7500                 0.6386                 0.0091
  Dep-U Fr= 1--      0.8571                 0.7794                 0.0179
 Alpha2 Fr= 1--      0.0000                 0.0599                 3.9126
 Beta2  Fr= 1--      1.1212                 3.8652                 0.5376
 AlphaG Fr= 1--      0.0005                 0.0179                -0.3985
 Gamma2 Fr= 1--      0.1675                 0.5267                -1.0147
 Delta2 Fr= 1--     -0.0411                 0.2731                -2.1296
 Raman1 Fr= 1--      31.393                119.013                719.321
 ROA1   Fr= 1--      14.764                 59.305               -165.562
 CID1   Fr= 1--       0.470                  0.498                 -0.230
 Raman2 Fr= 1--      13.454                 46.382                  6.452
 ROA2   Fr= 1--       4.349                 10.456                 -7.317
 CID2   Fr= 1--       0.323                  0.225                 -1.134
 Raman3 Fr= 1--      26.908                 92.764                 12.903
 ROA3   Fr= 1--      14.764                 59.305               -165.562
 CID3   Fr= 1--       0.549                  0.639                -12.831
 RC180  Fr= 1--       0.714                  0.559                 -0.964
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     2   6     0.02   0.04   0.01     0.03  -0.00  -0.01     0.00  -0.01  -0.00
     3   1    -0.00   0.01  -0.01     0.00  -0.01   0.01     0.00  -0.00  -0.00
     4   1    -0.23  -0.01  -0.00    -0.00  -0.01   0.00    -0.01   0.06   0.03
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.02   0.04  -0.03
     6   6    -0.03  -0.29  -0.06    -0.22   0.02   0.01    -0.00   0.00  -0.00
     7   1    -0.04  -0.01   0.02    -0.00   0.00  -0.01     0.07  -0.57  -0.27
     8   1     0.02  -0.01  -0.00    -0.01   0.01   0.00     0.20  -0.02   0.57
     9   1     0.00  -0.01  -0.03    -0.00  -0.02   0.02    -0.46   0.13  -0.00
    10   6     0.11   0.17   0.03     0.31   0.05   0.00     0.00  -0.00   0.00
    11   6     0.05  -0.21  -0.04    -0.26   0.10   0.03     0.00   0.00   0.00
    12   6     0.05   0.35   0.07     0.14  -0.01  -0.01    -0.00   0.00  -0.00
    13   6    -0.09  -0.19  -0.03    -0.28  -0.04   0.00     0.00   0.00  -0.00
    14   6    -0.08   0.20   0.04     0.28  -0.12  -0.03    -0.00  -0.00  -0.00
    15   1    -0.28   0.01   0.01    -0.35  -0.21  -0.03    -0.00  -0.00  -0.00
    16   1    -0.25  -0.01   0.01     0.20  -0.26  -0.06    -0.00  -0.00  -0.00
    17   1    -0.07  -0.47  -0.09     0.15  -0.03  -0.01     0.00  -0.00  -0.00
    18   1     0.23  -0.08  -0.02     0.28   0.19   0.03     0.00  -0.00  -0.00
    19   1     0.32  -0.09  -0.02    -0.27   0.30   0.07     0.01   0.02   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3055.5256              3099.9073              3112.5349
 Red. masses --      1.0858                 1.1008                 1.1020
 Frc consts  --      5.9725                 6.2322                 6.2900
 IR Inten    --     13.0059                31.1984                26.8774
 RamAct Fr= 1--     66.0389                34.3568               115.4237
  Dep-P Fr= 1--      0.3496                 0.4882                 0.5451
  Dep-U Fr= 1--      0.5181                 0.6561                 0.7056
 Alpha2 Fr= 1--      0.5806                 0.1791                 0.4536
 Beta2  Fr= 1--      5.7020                 3.7567                13.5733
 AlphaG Fr= 1--     -0.3935                 0.1870                 0.0657
 Gamma2 Fr= 1--      2.5598                 1.3655                -1.6620
 Delta2 Fr= 1--      2.4994                 0.3196                 0.5781
 Raman1 Fr= 1--     264.156                137.427                461.695
 ROA1   Fr= 1--     325.723                141.319               -141.053
 CID1   Fr= 1--       1.233                  1.028                 -0.306
 Raman2 Fr= 1--      68.424                 45.080                162.879
 ROA2   Fr= 1--      41.440                 30.217                -44.513
 CID2   Fr= 1--       0.606                  0.670                 -0.273
 Raman3 Fr= 1--     136.847                 90.160                325.759
 ROA3   Fr= 1--     325.723                141.319               -141.053
 CID3   Fr= 1--       2.380                  1.567                 -0.433
 RC180  Fr= 1--       0.036                  0.312                  0.411
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.01  -0.07  -0.03     0.00  -0.02  -0.01    -0.00   0.01   0.00
     3   1     0.01  -0.02  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
     4   1    -0.16   0.86   0.40    -0.04   0.21   0.09     0.02  -0.08  -0.04
     5   6    -0.01   0.01   0.02    -0.01  -0.05  -0.07    -0.08   0.04  -0.02
     6   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   1     0.02  -0.13  -0.06    -0.07   0.64   0.29     0.01  -0.23  -0.12
     8   1    -0.06   0.01  -0.15     0.22  -0.05   0.62     0.12  -0.01   0.39
     9   1     0.13  -0.03   0.01    -0.08   0.01  -0.02     0.84  -0.21  -0.00
    10   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.01  -0.02  -0.01     0.01  -0.01  -0.00    -0.00   0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    17   1     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    18   1     0.00   0.00  -0.00    -0.00   0.01   0.00     0.00  -0.00  -0.00
    19   1     0.01   0.01   0.00    -0.03  -0.04  -0.01     0.01   0.02   0.00
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3163.8781              3167.9597              3177.2192
 Red. masses --      1.0853                 1.0866                 1.0898
 Frc consts  --      6.4010                 6.4253                 6.4820
 IR Inten    --      4.5529                 1.3490                 7.5763
 RamAct Fr= 1--     15.1947               104.1478               118.1347
  Dep-P Fr= 1--      0.3888                 0.7394                 0.4997
  Dep-U Fr= 1--      0.5599                 0.8502                 0.6664
 Alpha2 Fr= 1--      0.1171                 0.0188                 0.5841
 Beta2  Fr= 1--      1.4180                14.7573                13.1212
 AlphaG Fr= 1--     -0.0195                 0.0128                -0.0330
 Gamma2 Fr= 1--      0.7043                -1.6785                -2.1790
 Delta2 Fr= 1--      0.0799                 0.2359                 0.1576
 Raman1 Fr= 1--      60.779                416.591                472.539
 ROA1   Fr= 1--      70.169               -153.585               -204.135
 CID1   Fr= 1--       1.155                 -0.369                 -0.432
 Raman2 Fr= 1--      17.015                177.088                157.455
 ROA2   Fr= 1--      16.263                -42.171                -53.556
 CID2   Fr= 1--       0.956                 -0.238                 -0.340
 Raman3 Fr= 1--      34.031                354.176                314.910
 ROA3   Fr= 1--      70.169               -153.585               -204.135
 CID3   Fr= 1--       2.062                 -0.434                 -0.648
 RC180  Fr= 1--       0.120                  0.700                  0.333
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     3   1     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   1    -0.01   0.01   0.01    -0.00   0.02   0.01     0.00  -0.01  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     7   1     0.00  -0.02  -0.01    -0.01   0.04   0.02    -0.00   0.03   0.01
     8   1    -0.00   0.00  -0.01     0.00  -0.00   0.01     0.00  -0.00   0.01
     9   1     0.00  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    10   6     0.02  -0.05  -0.01     0.02  -0.04  -0.01    -0.01   0.04   0.01
    11   6     0.02   0.03   0.01     0.01   0.02   0.00     0.02   0.02   0.00
    12   6    -0.03   0.00   0.00     0.01  -0.00  -0.00    -0.05   0.01   0.00
    13   6     0.01  -0.03  -0.01    -0.01   0.04   0.01     0.01  -0.01  -0.00
    14   6     0.02   0.02   0.00    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01
    15   1    -0.21   0.53   0.11    -0.21   0.52   0.10     0.16  -0.40  -0.08
    16   1    -0.29  -0.37  -0.06    -0.15  -0.20  -0.03    -0.20  -0.24  -0.04
    17   1     0.37  -0.05  -0.02    -0.12   0.02   0.01     0.62  -0.08  -0.03
    18   1    -0.15   0.37   0.08     0.17  -0.44  -0.09    -0.06   0.14   0.03
    19   1    -0.21  -0.28  -0.04     0.36   0.47   0.07     0.32   0.42   0.06
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3185.0587              3195.5923              3788.2078
 Red. masses --      1.0936                 1.0976                 1.0661
 Frc consts  --      6.5362                 6.6037                 9.0140
 IR Inten    --     30.3746                12.7331                17.7516
 RamAct Fr= 1--     22.4353               332.2691                42.2380
  Dep-P Fr= 1--      0.7495                 0.0909                 0.1123
  Dep-U Fr= 1--      0.8568                 0.1666                 0.2019
 Alpha2 Fr= 1--      0.0002                 5.9483                 0.7176
 Beta2  Fr= 1--      3.2039                 9.2277                 1.4211
 AlphaG Fr= 1--     -0.0004                 0.0336                -0.7544
 Gamma2 Fr= 1--      0.5196                 1.6404                 0.8744
 Delta2 Fr= 1--     -1.9192                 0.1804                -1.5009
 Raman1 Fr= 1--      89.741               1329.076                168.952
 ROA1   Fr= 1--     -11.534                163.255                 35.916
 CID1   Fr= 1--      -0.129                  0.123                  0.213
 Raman2 Fr= 1--      38.447                110.733                 17.053
 ROA2   Fr= 1--      27.824                 37.927                 32.994
 CID2   Fr= 1--       0.724                  0.343                  1.935
 Raman3 Fr= 1--      76.894                221.465                 34.107
 ROA3   Fr= 1--     -11.534                163.255                 35.916
 CID3   Fr= 1--      -0.150                  0.737                  1.053
 RC180  Fr= 1--       0.714                 -0.667                 -0.596
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.02  -0.05  -0.04
     2   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   1     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.33   0.76   0.56
     4   1    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.01   0.01
     5   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1    -0.00   0.02   0.01     0.00  -0.01  -0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   6     0.01  -0.03  -0.01     0.01  -0.01  -0.00     0.00  -0.00   0.00
    11   6    -0.03  -0.04  -0.01    -0.03  -0.04  -0.01    -0.00  -0.00  -0.00
    12   6    -0.00   0.00   0.00    -0.06   0.01   0.00     0.00   0.00   0.00
    13   6     0.02  -0.05  -0.01    -0.01   0.04   0.01    -0.00   0.00  -0.00
    14   6    -0.02  -0.03  -0.00     0.01   0.01   0.00     0.00   0.00   0.00
    15   1    -0.12   0.29   0.06    -0.07   0.17   0.03    -0.00   0.00   0.00
    16   1     0.37   0.46   0.08     0.30   0.38   0.07     0.00   0.00  -0.00
    17   1     0.02  -0.01  -0.00     0.66  -0.09  -0.04    -0.00  -0.00   0.00
    18   1    -0.22   0.54   0.11     0.17  -0.43  -0.09     0.00  -0.00   0.00
    19   1     0.26   0.33   0.05    -0.13  -0.16  -0.03    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.446801638.930051841.94092
           X            0.99974   0.01587  -0.01664
           Y           -0.01532   0.99935   0.03253
           Z            0.01714  -0.03227   0.99933
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16642     0.05285     0.04702
 Rotational constants (GHZ):           3.46768     1.10117     0.97980
 Zero-point vibrational energy     421859.0 (Joules/Mol)
                                  100.82673 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     23.78   180.34   285.20   341.41   366.91
          (Kelvin)            470.17   484.03   594.94   708.78   781.44
                              873.56   918.81  1023.96  1104.16  1135.88
                             1231.31  1301.50  1337.19  1383.09  1405.84
                             1461.34  1479.04  1516.96  1550.47  1568.72
                             1613.39  1706.20  1738.95  1769.65  1805.45
                             1915.59  1951.99  1997.06  2028.53  2032.08
                             2142.55  2148.39  2154.12  2209.19  2345.24
                             2373.40  4368.69  4396.22  4460.08  4478.24
                             4552.11  4557.99  4571.31  4582.59  4597.74
                             5450.39
 
 Zero-point correction=                           0.160678 (Hartree/Particle)
 Thermal correction to Energy=                    0.169260
 Thermal correction to Enthalpy=                  0.170204
 Thermal correction to Gibbs Free Energy=         0.126271
 Sum of electronic and zero-point Energies=           -386.114886
 Sum of electronic and thermal Energies=              -386.106303
 Sum of electronic and thermal Enthalpies=            -386.105359
 Sum of electronic and thermal Free Energies=         -386.149292
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.212             32.443             92.464
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.842
 Vibrational            104.435             26.482             23.309
 Vibration     1          0.593              1.986              7.013
 Vibration     2          0.610              1.928              3.016
 Vibration     3          0.637              1.842              2.150
 Vibration     4          0.656              1.784              1.823
 Vibration     5          0.665              1.754              1.696
 Vibration     6          0.710              1.622              1.276
 Vibration     7          0.717              1.603              1.229
 Vibration     8          0.777              1.441              0.914
 Vibration     9          0.848              1.266              0.677
 Vibration    10          0.898              1.155              0.559
 Vibration    11          0.966              1.017              0.438
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.830275D-58        -58.080778       -133.735934
 Total V=0       0.669472D+16         15.825732         36.440096
 Vib (Bot)       0.349049D-71        -71.457114       -164.536086
 Vib (Bot)    1  0.125332D+02          1.098063          2.528384
 Vib (Bot)    2  0.162837D+01          0.211753          0.487579
 Vib (Bot)    3  0.100659D+01          0.002854          0.006571
 Vib (Bot)    4  0.827331D+00         -0.082321         -0.189551
 Vib (Bot)    5  0.763495D+00         -0.117194         -0.269849
 Vib (Bot)    6  0.572897D+00         -0.241923         -0.557049
 Vib (Bot)    7  0.553192D+00         -0.257124         -0.592050
 Vib (Bot)    8  0.426736D+00         -0.369841         -0.851590
 Vib (Bot)    9  0.335805D+00         -0.473913         -1.091225
 Vib (Bot)   10  0.290845D+00         -0.536339         -1.234965
 Vib (Bot)   11  0.244120D+00         -0.612396         -1.410095
 Vib (V=0)       0.281447D+03          2.449396          5.639944
 Vib (V=0)    1  0.130432D+02          1.115384          2.568267
 Vib (V=0)    2  0.220340D+01          0.343094          0.790004
 Vib (V=0)    3  0.162393D+01          0.210569          0.484852
 Vib (V=0)    4  0.146668D+01          0.166336          0.383003
 Vib (V=0)    5  0.141265D+01          0.150034          0.345465
 Vib (V=0)    6  0.126040D+01          0.100509          0.231431
 Vib (V=0)    7  0.124567D+01          0.095403          0.219672
 Vib (V=0)    8  0.115735D+01          0.063463          0.146129
 Vib (V=0)    9  0.110230D+01          0.042300          0.097399
 Vib (V=0)   10  0.107844D+01          0.032795          0.075514
 Vib (V=0)   11  0.105641D+01          0.023833          0.054879
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448696D+06          5.651952         13.014100
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                33333 3333                                             11 1111111111111111111                                  
     7                11111 1100                                             66 54444433322211000009999 8 77 7 66 5 4  4 33 221 1    
     8                98766 1053                                             53 39981185353082975217620 5 86 1 30 4 9  1 32 539 2   1
     8                65784 3066                                             00 57392087150961084867195 6 97 2 97 3 3  4 67 578 5   7
 
     X                XXXXX XXXX                                             XX XXXXXXXXXXXXXXXXXXXX XX   XX X XX X X    XX XXX X   X
     X                XXX   XXXX                                                  X XX  XXX   XXXXX  XX   XX X  X X       X  XX      
     X                XX    XXXX                                                  X XX  X X   XX  X   X    X X  X            XX      
     X                 X    XX                                                      X     X   XX  X   X    X X               XX      
                       X    XX                                                      X         XX  X        X X                X      
                       X    XX                                                      X         XX  X          X                X      
                       X     X                                                      X         X   X          X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                    X         X              X                X      
                                                                                              X                               X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
                                                                                                                              X      
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000010607   -0.000003894   -0.000015466
      2        6           0.000011988   -0.000016401    0.000013738
      3        1           0.000000549    0.000004842    0.000004648
      4        1          -0.000001379    0.000001073   -0.000000397
      5        6           0.000001738    0.000014714   -0.000000918
      6        6          -0.000006534    0.000004770   -0.000007101
      7        1           0.000003652   -0.000003528   -0.000005103
      8        1          -0.000000167   -0.000002216   -0.000000850
      9        1          -0.000002074   -0.000002505    0.000001630
     10        6          -0.000001392    0.000007623    0.000006984
     11        6           0.000005481    0.000001035    0.000001684
     12        6           0.000002310    0.000001010    0.000000265
     13        6          -0.000000749   -0.000002178    0.000001306
     14        6           0.000001024   -0.000005008    0.000003343
     15        1           0.000001047    0.000000213   -0.000003368
     16        1          -0.000001346    0.000001802    0.000000536
     17        1           0.000000037   -0.000001694   -0.000000039
     18        1           0.000002046   -0.000000144   -0.000000166
     19        1          -0.000005624    0.000000486   -0.000000726
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000016401 RMS     0.000005420
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126242D+03  0.887577D+00 -0.170428D+01
      2   0.887577D+00  0.102167D+03  0.561355D+01
      3  -0.170428D+01  0.561355D+01  0.718591D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.423963D+00 -0.810897D+01 -0.259051D+01
      2   0.113416D+02 -0.100610D+02  0.758498D+01
      3   0.236192D+01  0.397720D+02  0.951241D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.909306D+02 -0.415937D+01  0.792143D+01
      2   0.309609D+02  0.104116D+02  0.755154D+01
      3   0.599697D+02 -0.625219D+01 -0.154730D+02
      4   0.143830D+02 -0.796617D+02 -0.254609D+02
      5  -0.181028D+02 -0.260901D+02  0.235967D+02
      6  -0.106481D+02 -0.146378D+02  0.926029D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.524044D+01 -0.103711D+01  0.242369D+01 -0.214796D+01  0.200696D+01
      2  -0.103711D+01  0.787602D+00 -0.341129D+00  0.200696D+01 -0.295485D+01
      3   0.242369D+01 -0.341129D+00  0.274272D+01 -0.989380D+00  0.893376D-01
                 6             7             8             9            10 
      1  -0.989380D+00  0.503669D+01 -0.846678D+00  0.370421D+01 -0.285997D+01
      2   0.893376D-01 -0.846678D+00 -0.109521D+01 -0.296057D+01 -0.948163D-01
      3  -0.323450D+01  0.370421D+01 -0.296057D+01  0.333921D+01 -0.475237D+00
                11            12            13            14            15 
      1  -0.948163D-01 -0.475237D+00 -0.868526D+00 -0.238251D+01  0.169955D+01
      2  -0.755727D+00  0.124643D+01 -0.238251D+01  0.383759D+01  0.295028D+01
      3   0.124643D+01 -0.223621D+01  0.169955D+01  0.295028D+01  0.245395D+00
                16            17            18            19            20 
      1  -0.276760D+01  0.165902D+01 -0.476957D+01 -0.562459D+00  0.478833D+00
      2   0.165902D+01  0.328217D+01  0.156681D+01  0.478833D+00 -0.427378D+00
      3  -0.476957D+01  0.156681D+01 -0.163316D+01  0.984812D-01 -0.374186D+00
                21            22            23            24            25 
      1   0.984812D-01  0.172163D+01 -0.141640D+00  0.223410D+00  0.119743D+01
      2  -0.374186D+00 -0.141640D+00  0.200371D+01  0.169871D+01 -0.154462D+00
      3  -0.118549D+01  0.223410D+00  0.169871D+01  0.280032D+01  0.214818D+00
                26            27            28            29            30 
      1  -0.154462D+00  0.214818D+00  0.295489D+00 -0.130230D+01 -0.756144D+00
      2   0.163624D+01  0.118625D+01 -0.130230D+01  0.118731D+01  0.216586D+00
      3   0.118625D+01  0.369198D+01 -0.756144D+00  0.216586D+00  0.722948D+00
                31            32            33            34            35 
      1  -0.237156D+01  0.189272D+01  0.348055D+00 -0.100718D+01  0.389534D+00
      2   0.189272D+01 -0.607677D+01 -0.176016D+01  0.389534D+00 -0.208674D+01
      3   0.348055D+00 -0.176016D+01 -0.170336D+01  0.110731D+01 -0.169614D+01
                36            37            38            39            40 
      1   0.110731D+01 -0.820237D+01  0.203718D+01  0.121841D+00  0.456242D+01
      2  -0.169614D+01  0.203718D+01  0.103308D+01 -0.108809D+01  0.135330D+01
      3  -0.151198D+01  0.121841D+00 -0.108809D+01  0.296627D+01 -0.150712D+01
                41            42            43            44            45 
      1   0.135330D+01 -0.150712D+01 -0.118801D+01 -0.136484D+01  0.262722D+01
      2  -0.336105D+01 -0.285379D+01 -0.136484D+01 -0.273181D+01 -0.549275D+00
      3  -0.285379D+01 -0.100778D+00  0.262722D+01 -0.549275D+00  0.453944D+01
                46            47            48            49            50 
      1   0.151385D+02 -0.154306D+01  0.496490D+00 -0.295651D+01 -0.125997D+01
      2  -0.154306D+01  0.254676D+01  0.468872D-01 -0.125997D+01 -0.645418D+00
      3   0.496490D+00  0.468872D-01  0.200265D+01 -0.138589D+01 -0.407561D+00
                51            52            53            54            55 
      1  -0.138589D+01 -0.147000D+01 -0.923491D+00  0.348661D+01  0.576767D+00
      2  -0.407561D+00 -0.923491D+00 -0.419013D+00 -0.348477D+00  0.696020D+00
      3  -0.147219D+00  0.348661D+01 -0.348477D+00 -0.263100D+00  0.531915D+00
                56            57            58            59            60 
      1   0.696020D+00  0.531915D+00  0.173559D+01  0.879913D+00 -0.468920D-01
      2   0.370740D-01  0.228110D+00  0.879913D+00  0.627447D+01  0.102999D+01
      3   0.228110D+00 -0.425150D+00 -0.468920D-01  0.102999D+01  0.162123D+01
                61            62            63            64            65 
      1   0.129379D+01  0.484606D+00 -0.233922D+00 -0.806469D-01 -0.126285D+00
      2   0.484606D+00  0.191082D+01  0.128237D+01 -0.126285D+00 -0.517531D+00
      3  -0.233922D+00  0.128237D+01  0.732547D+00 -0.106222D+01  0.357325D+00
                66            67            68            69            70 
      1  -0.106222D+01 -0.504039D+00 -0.138738D+00  0.147697D+00 -0.165564D+01
      2   0.357325D+00 -0.138738D+00  0.733664D+00 -0.985794D+00 -0.130521D+00
      3  -0.185957D+01  0.147697D+00 -0.985794D+00  0.554558D+00 -0.290722D-02
                71            72            73            74            75 
      1  -0.130521D+00 -0.290722D-02  0.129508D+02 -0.530757D+00 -0.143178D+01
      2  -0.113239D+01  0.117761D+01 -0.530757D+00  0.109867D+01 -0.638495D-02
      3   0.117761D+01 -0.864564D+01 -0.143178D+01 -0.638495D-02  0.122494D+01
                76            77            78            79            80 
      1  -0.239309D+01  0.116979D+01  0.502405D+00 -0.153818D+00  0.163537D+00
      2   0.116979D+01 -0.357043D+00  0.182148D+00  0.163537D+00  0.366993D+00
      3   0.502405D+00  0.182148D+00 -0.481925D+00  0.125603D+01 -0.580648D-01
                81            82            83            84            85 
      1   0.125603D+01 -0.436332D+01  0.233459D+01  0.185304D+00 -0.558099D+01
      2  -0.580648D-01  0.233459D+01  0.220423D+01  0.191089D+00  0.232938D+00
      3  -0.757387D+00  0.185304D+00  0.191089D+00  0.958829D+00 -0.202761D+00
                86            87            88            89            90 
      1   0.232938D+00 -0.202761D+00 -0.103867D+01 -0.515655D+00  0.941678D+00
      2  -0.145610D+01  0.811000D+00 -0.515655D+00  0.124061D+01 -0.354977D+01
      3   0.811000D+00 -0.180101D+01  0.941678D+00 -0.354977D+01 -0.225956D+01
                91            92            93            94            95 
      1   0.164960D+01 -0.503116D+00  0.636937D-01 -0.485824D+01  0.845695D+00
      2  -0.503116D+00 -0.266747D+01 -0.572848D+00  0.845695D+00 -0.520794D+00
      3   0.636937D-01 -0.572848D+00 -0.155458D+01  0.626531D+00  0.103201D+01
                96            97            98            99           100 
      1   0.626531D+00 -0.923663D+00  0.651632D+00 -0.278240D+01 -0.469453D+01
      2   0.103201D+01  0.651632D+00  0.136164D+01 -0.287421D+01  0.366553D-01
      3  -0.154271D+01 -0.278240D+01 -0.287421D+01 -0.125488D+01 -0.232302D+00
               101           102           103           104           105 
      1   0.366553D-01 -0.232302D+00  0.606634D+00  0.286994D+00  0.128181D+01
      2  -0.319790D+01 -0.140478D+00  0.286994D+00 -0.192554D+00 -0.482931D+00
      3  -0.140478D+00 -0.252320D+01  0.128181D+01 -0.482931D+00  0.222166D+00
               106           107           108           109           110 
      1  -0.260396D-01  0.109488D+01 -0.495985D+01  0.348391D+01 -0.468136D+00
      2   0.109488D+01 -0.106828D+00  0.424943D+00 -0.468136D+00 -0.161190D+01
      3  -0.495985D+01  0.424943D+00  0.544314D+00 -0.211948D+00  0.183113D+00
               111           112           113           114           115 
      1  -0.211948D+00  0.462502D+01 -0.801757D-01  0.295057D+00  0.105664D+01
      2   0.183113D+00 -0.801757D-01  0.115133D+01 -0.874728D+00  0.509452D+00
      3  -0.946901D+00  0.295057D+00 -0.874728D+00  0.178372D+01 -0.173025D+01
               116           117           118           119           120 
      1   0.509452D+00 -0.173025D+01 -0.344045D+01 -0.667614D+00 -0.853016D-02
      2  -0.119919D+01  0.345238D+01 -0.667614D+00  0.290218D+01  0.427236D+00
      3   0.345238D+01  0.221555D+01 -0.853016D-02  0.427236D+00  0.157671D+01
               121           122           123           124           125 
      1   0.741859D+01  0.156612D+00  0.554775D-02  0.162500D+01 -0.773864D-01
      2   0.156612D+00  0.124633D+01 -0.544373D+00 -0.773864D-01 -0.108970D+01
      3   0.554775D-02 -0.544373D+00  0.164981D+01  0.190377D+01  0.299241D+01
               126           127           128           129           130 
      1   0.190377D+01  0.162037D+01 -0.181846D+01 -0.397376D+00 -0.150364D+01
      2   0.299241D+01 -0.181846D+01  0.217278D+01  0.427923D+00  0.200966D+01
      3   0.124319D+01 -0.397376D+00  0.427923D+00  0.346197D+00  0.410614D+00
               131           132           133           134           135 
      1   0.200966D+01  0.410614D+00 -0.435787D+00  0.501378D+00  0.573754D-01
      2  -0.863705D+01 -0.148778D+01  0.501378D+00 -0.166075D+01 -0.491110D+00
      3  -0.148778D+01 -0.120857D+01  0.573754D-01 -0.491110D+00 -0.292245D+00
               136           137           138           139           140 
      1  -0.499255D+01 -0.383450D+01 -0.627803D+00 -0.366067D+01 -0.436055D+01
      2  -0.383450D+01 -0.352970D+01 -0.451711D+00 -0.436055D+01 -0.658718D+01
      3  -0.627803D+00 -0.451711D+00 -0.705669D+00 -0.756637D+00 -0.968739D+00
               141           142           143           144           145 
      1  -0.756637D+00 -0.613486D+00 -0.753944D+00 -0.298184D+00 -0.131228D+02
      2  -0.968739D+00 -0.753944D+00 -0.122188D+01 -0.405053D+00  0.132544D+01
      3  -0.100358D+01 -0.298184D+00 -0.405053D+00 -0.222479D+00  0.599297D+00
               146           147           148           149           150 
      1   0.132544D+01  0.599297D+00  0.128875D+01 -0.168425D+01 -0.343327D+00
      2  -0.938945D+00 -0.148279D-01 -0.168425D+01  0.486280D+00  0.977241D-01
      3  -0.148279D-01 -0.106416D+01 -0.343327D+00  0.977241D-01  0.165685D+00
               151           152           153           154           155 
      1   0.470735D+00 -0.349114D+00 -0.222101D+00 -0.228473D+01  0.261204D+01
      2  -0.349114D+00  0.746638D-01  0.606841D-01  0.261204D+01 -0.273237D+01
      3  -0.222101D+00  0.606841D-01  0.441511D-01  0.570008D+00 -0.538488D+00
               156           157           158           159           160 
      1   0.570008D+00  0.223365D+01 -0.365250D+01 -0.743607D+00  0.515737D+00
      2  -0.538488D+00 -0.365250D+01  0.930053D+01  0.170028D+01 -0.785702D+00
      3  -0.486674D+00 -0.743607D+00  0.170028D+01  0.127627D+01 -0.247077D+00
               161           162           163           164           165 
      1  -0.785702D+00 -0.247077D+00  0.364803D+01  0.240540D+01  0.112625D+00
      2   0.184013D+01  0.548947D+00  0.240540D+01  0.240922D+01  0.203448D+00
      3   0.548947D+00  0.352817D+00  0.112625D+00  0.203448D+00  0.446326D+00
               166           167           168           169           170 
      1   0.265292D+01  0.286577D+01  0.434938D+00  0.838826D-01  0.447756D+00
      2   0.286577D+01  0.575491D+01  0.774376D+00  0.447756D+00  0.103024D+01
      3   0.434938D+00  0.774376D+00  0.904484D+00 -0.527601D-01  0.240254D+00
               171 
      1  -0.527601D-01
      2   0.240254D+00
      3   0.137226D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.489875D+00  0.379909D+01  0.173788D+01  0.793030D+00 -0.515499D+01
      2   0.152882D+01  0.890535D+00  0.116924D+02  0.242240D+01 -0.229300D+01
      3  -0.859180D+00 -0.783752D+01 -0.166742D+01 -0.345840D+01  0.633203D+01
                 6             7             8             9            10 
      1  -0.741441D+01  0.246778D+01  0.730334D+00  0.204261D+00  0.306554D+00
      2  -0.771356D+01  0.490234D+01 -0.738227D+01  0.561814D+01  0.175521D-01
      3   0.175031D+01 -0.328787D+01  0.216035D+01  0.523581D+01  0.411107D+01
                11            12            13            14            15 
      1   0.351100D+00 -0.445241D-02  0.118734D+01  0.655841D+00 -0.353834D+01
      2   0.637780D+00 -0.312666D+01  0.104064D+01  0.544988D+01  0.125517D+01
      3   0.248244D+01 -0.387117D+00  0.125757D+02 -0.749234D+01 -0.780868D+01
                16            17            18            19            20 
      1  -0.171901D+01  0.838932D+00 -0.140983D+01  0.198718D+01 -0.197934D+01
      2  -0.142272D+02  0.442050D+01 -0.475736D+01  0.366539D+01 -0.195066D+01
      3   0.171426D+00 -0.871742D+01 -0.145181D+01 -0.244679D+01  0.217165D+01
                21            22            23            24            25 
      1  -0.969601D+00 -0.151873D+01  0.548449D+01  0.342136D+01 -0.433740D+00
      2  -0.285140D+01 -0.275276D+01  0.490803D+01  0.704007D+01 -0.167374D+01
      3   0.104516D+01  0.332494D+01 -0.465173D+01 -0.445511D+01  0.105145D+00
                26            27            28            29            30 
      1   0.411870D+01  0.408784D+01 -0.689438D-03 -0.563868D+00  0.571781D+00
      2   0.337001D+01  0.815315D+01 -0.169257D+01  0.212840D+00  0.185522D+01
      3  -0.312922D+01 -0.360468D+01  0.336359D+01 -0.269372D+01 -0.765439D-01
                31            32            33            34            35 
      1  -0.133139D+00  0.157388D+01 -0.249326D+01  0.737577D+00  0.936241D+00
      2  -0.476290D+00 -0.315756D+01 -0.351482D+01  0.266292D+00 -0.306487D+01
      3   0.120105D+01  0.121394D+02  0.368729D+01  0.685034D+00  0.470735D+01
                36            37            38            39            40 
      1  -0.866963D+00 -0.255203D+01 -0.163260D+01 -0.127852D+01  0.695668D-01
      2  -0.242369D+01 -0.721770D+01 -0.535557D+00  0.107405D+02 -0.716358D-01
      3   0.304909D+01 -0.140745D+02 -0.603811D+01  0.355850D+01  0.478506D-01
                41            42            43            44            45 
      1   0.576046D+01  0.144060D+01  0.796736D+00  0.645651D+01 -0.443287D+01
      2  -0.642363D+01 -0.229688D+01  0.248057D+01 -0.338718D+01  0.162350D+02
      3   0.124760D+02  0.808964D+01  0.309791D+01  0.834140D+01  0.307150D+01
                46            47            48            49            50 
      1   0.538831D+00  0.259086D+00  0.325912D+00  0.935820D+00 -0.209575D+01
      2   0.173018D+01 -0.127071D+01 -0.760397D+00 -0.897886D+00 -0.100831D+01
      3  -0.132579D+01  0.406743D+01  0.760468D+00  0.146448D+02 -0.933818D+00
                51            52            53            54            55 
      1   0.165828D+01  0.100581D+01  0.953460D+01  0.184275D+01 -0.159709D+01
      2   0.298147D+00 -0.142715D+02 -0.736087D-01 -0.957729D+00  0.182771D+01
      3   0.182096D+01  0.569223D+00  0.666928D-01 -0.105164D+01 -0.356307D+01
                56            57            58            59            60 
      1  -0.335724D-01  0.431693D+00 -0.426106D-01 -0.781175D+01 -0.515363D+01
      2   0.887517D+00 -0.359804D+00  0.575578D+00  0.377156D+01  0.433574D+01
      3   0.832698D+00  0.462183D+00  0.278027D+01 -0.182996D+02 -0.424044D+01
                61            62            63            64            65 
      1  -0.375832D-01 -0.204491D+01 -0.272092D+01  0.904005D+00  0.119893D+01
      2  -0.125808D+01  0.344548D+01  0.194776D+01 -0.442435D+01  0.450654D+00
      3   0.145204D+01 -0.601190D+01 -0.439545D+01 -0.840311D-01  0.915993D+00
                66            67            68            69            70 
      1   0.117357D+01  0.600073D+00 -0.265115D+00 -0.345172D+00  0.585333D+00
      2  -0.525123D+01 -0.179186D+00 -0.251622D+01  0.171590D+01 -0.474495D+01
      3  -0.152859D+01  0.156820D+01 -0.200409D+01  0.239171D+01 -0.137125D+01
                71            72            73            74            75 
      1   0.268560D+01  0.513537D+01  0.153451D+01 -0.157995D+01 -0.632657D+00
      2   0.285404D+01 -0.222450D+02  0.801557D+01 -0.597406D+00  0.475036D+01
      3   0.253491D+01 -0.374312D+01  0.971269D+01 -0.671012D+01 -0.890435D+00
                76            77            78            79            80 
      1  -0.136003D+01  0.214336D+00 -0.805309D+00 -0.802152D+00  0.240316D+00
      2  -0.633340D+00  0.167101D+01 -0.128985D+01  0.180364D+01 -0.949827D-01
      3  -0.363604D+01  0.150850D+01 -0.812382D+00 -0.912627D+00 -0.952570D+00
                81            82            83            84            85 
      1   0.293332D+00 -0.674590D+00 -0.807428D+00  0.121250D+01 -0.113395D+01
      2  -0.113015D+01 -0.255442D+01  0.164535D+01 -0.900728D+00  0.148188D+01
      3   0.787059D+00  0.522335D+01 -0.535712D+01 -0.166003D+01  0.408428D+01
                86            87            88            89            90 
      1   0.280515D+00 -0.255253D+01  0.361723D+01  0.129925D+01 -0.524936D+00
      2   0.788876D+00  0.168141D+01 -0.125244D+02  0.155954D+01  0.276553D+01
      3  -0.512319D+01 -0.323683D+00 -0.188468D+01  0.923091D+00 -0.452580D+01
                91            92            93            94            95 
      1  -0.116954D+00  0.210729D+00 -0.198680D+01  0.114290D+01 -0.888429D-01
      2   0.952703D+00  0.128741D+01  0.255164D+01 -0.116137D+01 -0.254167D+01
      3  -0.327178D+01 -0.925535D+01 -0.140443D+01  0.656461D+01 -0.922259D+00
                96            97            98            99           100 
      1  -0.163378D+01 -0.559687D+01  0.402754D+01  0.931962D+00  0.112747D+00
      2   0.452694D+01 -0.325797D+01  0.895360D+01  0.302526D+01 -0.525204D+00
      3   0.173020D+01  0.115904D+01  0.229601D+01 -0.411929D+01  0.187969D+01
               101           102           103           104           105 
      1   0.186523D+00  0.792224D+00  0.435072D-01 -0.273573D+01  0.136158D+01
      2  -0.270893D+00  0.638441D+01 -0.389164D+01 -0.151562D+00 -0.119427D+01
      3  -0.617466D+01  0.870927D-01  0.112476D+02  0.160267D+01 -0.570519D+00
               106           107           108           109           110 
      1   0.176770D+01  0.103646D+02  0.238811D+01  0.494118D+00 -0.357981D+00
      2   0.605978D+01 -0.224471D+01 -0.112645D+01  0.126342D+01  0.245519D+01
      3   0.292013D+01  0.821158D-01  0.798162D+00 -0.177001D+01 -0.126558D+02
               111           112           113           114           115 
      1   0.186747D+01 -0.986923D+00  0.315454D+00 -0.262487D+01  0.457200D+01
      2   0.135461D+01  0.113140D+01  0.256213D+01 -0.402592D+01 -0.759740D+01
      3  -0.226986D+01  0.402401D+01  0.620254D+00 -0.169046D+01  0.397785D+00
               116           117           118           119           120 
      1   0.116597D+01 -0.988657D+00 -0.122460D+01 -0.567447D-01 -0.273417D+01
      2  -0.793560D+01 -0.396288D+01 -0.136983D+01  0.646956D+00 -0.159438D+01
      3  -0.297074D+01  0.419192D+01 -0.888621D+00 -0.847093D+00  0.393733D+00
               121           122           123           124           125 
      1   0.784138D+00 -0.524632D+00 -0.209585D+01 -0.658137D+01  0.325549D+01
      2   0.292420D+01 -0.365976D+00 -0.125688D+01 -0.122693D+02 -0.859032D+00
      3   0.260653D+01  0.456574D+01 -0.519658D+00 -0.190219D+01  0.459789D+00
               126           127           128           129           130 
      1   0.127200D+00  0.110971D-01 -0.169939D+00  0.152474D+01  0.338020D-01
      2  -0.112031D+00  0.130054D+01 -0.956362D+00  0.706673D-01 -0.115907D+01
      3   0.582884D+01 -0.606209D+01  0.396990D+01  0.999777D+00  0.665465D+01
               131           132           133           134           135 
      1   0.725879D+00 -0.409333D+01 -0.371749D+00  0.196937D+01 -0.375834D+00
      2   0.185834D+01 -0.108272D+00 -0.174069D+01  0.529396D+00  0.542394D-02
      3  -0.872198D+01 -0.190663D+01  0.135200D+01 -0.173474D+01 -0.299299D+00
               136           137           138           139           140 
      1   0.232012D+00  0.623081D+00 -0.222656D+01 -0.116450D+00  0.402364D+00
      2  -0.628691D-01 -0.433307D-01  0.286599D+01  0.750746D+00  0.134842D+01
      3  -0.152102D+01 -0.459691D+01 -0.210363D+00 -0.358153D+01 -0.109319D+02
               141           142           143           144           145 
      1  -0.321217D+01  0.706157D+00  0.136597D+01 -0.310902D+00 -0.106833D+00
      2   0.360463D+01 -0.717034D+00 -0.860764D-01  0.431682D+00 -0.972843D+00
      3  -0.126627D+01 -0.911354D+00 -0.218847D+01 -0.511507D+00  0.616850D+00
               146           147           148           149           150 
      1  -0.209374D+00  0.648524D+00  0.617515D-01 -0.453348D-01 -0.373510D+00
      2  -0.900162D-01  0.628531D+01  0.139414D+01 -0.303574D+00 -0.933342D+00
      3  -0.526202D+01  0.182913D+00 -0.378548D+01  0.145392D+01  0.238029D+00
               151           152           153           154           155 
      1  -0.311672D+00  0.625215D+00  0.505297D-01 -0.176234D+00 -0.762954D-01
      2  -0.216485D+01  0.385888D-01 -0.137289D+00 -0.274115D+00  0.359544D+00
      3  -0.123286D+01  0.484655D+00  0.157558D+00  0.617493D+00 -0.206840D+01
               156           157           158           159           160 
      1   0.164298D+01  0.264502D+00  0.280365D+00 -0.435147D+01 -0.494468D+00
      2   0.148418D+01  0.434226D+00 -0.235918D+01 -0.324904D+01 -0.427742D+00
      3  -0.210139D+00 -0.122263D+01  0.134335D+02  0.216259D+01 -0.446448D+00
               161           162           163           164           165 
      1   0.173317D+01 -0.571787D+00  0.817838D+00  0.838553D+00 -0.209651D+01
      2  -0.121640D+00 -0.736463D+00 -0.206278D+01 -0.953780D+00  0.738512D+00
      3   0.267309D+01  0.570652D+00  0.990359D+01  0.397671D+01  0.864705D-02
               166           167           168           169           170 
      1   0.230208D+00  0.223506D+00 -0.312334D+01  0.530836D+00  0.177710D+01
      2  -0.932031D+00 -0.123757D+01  0.112482D+01 -0.176899D+01 -0.360778D+00
      3   0.749083D+01  0.538844D+01  0.868948D+00  0.395387D-01  0.975597D+00
               171 
      1  -0.522126D-01
      2   0.261255D+00
      3   0.120059D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.199730D+02 -0.302994D+01  0.240457D+01 -0.298867D+01  0.436720D+01
      2  -0.139165D+02 -0.396478D+00 -0.752380D+01  0.467559D+00  0.417108D+01
      3  -0.605657D+01  0.342642D+01  0.511923D+01  0.252111D+01 -0.853828D+01
      4  -0.540949D+01  0.135495D+02 -0.242883D+01  0.160911D+02 -0.148732D+02
      5   0.160489D+02 -0.307334D+01  0.214546D+02 -0.692025D+01  0.310065D+01
      6  -0.470120D+01  0.510985D+01 -0.108959D+01  0.507919D+01 -0.947231D+01
                 6             7             8             9            10 
      1   0.738475D+01  0.333397D+01  0.479832D+01 -0.216788D+00  0.742803D+01
      2   0.356325D+01 -0.119918D+02  0.322543D+01 -0.118038D+02 -0.351470D+01
      3  -0.109480D+02  0.865787D+01 -0.802375D+01  0.120206D+02 -0.391333D+01
      4   0.999207D+00 -0.497619D+01 -0.159196D+01 -0.138226D+02 -0.333831D+01
      5  -0.127062D+02  0.285863D+02 -0.117072D+02  0.223158D+02 -0.470992D+01
      6   0.357932D+01 -0.432533D+01  0.683808D+01 -0.118389D+02  0.300693D+01
                11            12            13            14            15 
      1  -0.352461D+01  0.138076D+01 -0.940533D+01  0.960072D+00  0.545697D+01
      2   0.186162D+01  0.118753D+01  0.738529D+01 -0.573752D+01 -0.880538D+01
      3   0.166299D+01 -0.256828D+01  0.202005D+01  0.477745D+01  0.334841D+01
      4  -0.116456D+02  0.533574D+01 -0.138060D+02  0.176136D+02  0.144247D+02
      5   0.583726D+01 -0.160577D+02  0.113321D+02  0.137313D+02  0.253519D+00
      6   0.177142D+01  0.535555D+00  0.525957D+01 -0.594241D+01 -0.549577D+01
                16            17            18            19            20 
      1  -0.132438D+01  0.490480D+01 -0.501085D+01 -0.135590D+01  0.212658D+01
      2   0.716796D+01 -0.534554D+01  0.669289D+01  0.186439D+00  0.266707D+00
      3  -0.584358D+01  0.440742D+00 -0.168205D+01  0.116946D+01 -0.239329D+01
      4   0.104060D+02  0.144113D+02  0.633641D+01  0.177886D+01 -0.311104D+01
      5  -0.310107D+02  0.557595D+01 -0.884261D+01  0.723007D+00 -0.351545D+00
      6   0.324078D+01 -0.101264D+02  0.383054D+01  0.169126D+01 -0.194566D+01
                21            22            23            24            25 
      1   0.522670D+01  0.434658D+01 -0.616470D+01 -0.582673D+01  0.414866D+01
      2   0.800618D+00 -0.236133D+01 -0.229420D+00 -0.363718D+01 -0.208889D+01
      3  -0.602732D+01 -0.198525D+01  0.639412D+01  0.946391D+01 -0.205976D+01
      4  -0.151666D+01 -0.587392D+00  0.837297D+01  0.713064D+01 -0.104804D+01
      5  -0.257771D+01  0.302683D+01  0.526155D+01  0.100598D+02  0.380769D+01
      6  -0.110770D+01 -0.826297D+00  0.650029D+01  0.719320D+01 -0.731562D+00
                26            27            28            29            30 
      1  -0.338824D+01 -0.837409D+01  0.201846D+01 -0.329157D+01 -0.190729D+01
      2  -0.259035D+01 -0.571959D+01  0.189000D+01  0.384271D+00  0.540178D+00
      3   0.597859D+01  0.140937D+02 -0.390845D+01  0.290730D+01  0.136711D+01
      4   0.594382D+01  0.522483D+01 -0.804758D+01  0.104647D+02  0.229925D+01
      5   0.388004D+01  0.113206D+02 -0.382462D+01  0.217595D+01  0.519078D+01
      6   0.558527D+01  0.418712D+01  0.311374D+01 -0.193025D+01 -0.879602D+00
                31            32            33            34            35 
      1  -0.220530D+01 -0.973211D+01 -0.321712D+01 -0.157803D+01 -0.397079D+01
      2  -0.193336D+01  0.185062D+02  0.474005D+01  0.250992D+00  0.345888D+01
      3   0.413866D+01 -0.877405D+01 -0.152293D+01  0.132704D+01  0.511908D+00
      4   0.125858D+02 -0.271392D+02 -0.796507D+01  0.305219D+01 -0.953922D+01
      5   0.276643D+01 -0.713660D+01 -0.701567D+01  0.678121D+01 -0.672424D+01
      6  -0.303318D+01  0.106985D+02  0.762232D+01 -0.266402D+01  0.888950D+01
                36            37            38            39            40 
      1  -0.328746D+01 -0.524062D+02  0.724514D+01  0.975468D+01  0.176367D+02
      2   0.143023D+01  0.305907D+02 -0.290730D+01  0.129625D+01 -0.110068D+02
      3   0.185723D+01  0.218154D+02 -0.433783D+01 -0.110509D+02 -0.662989D+01
      4  -0.753978D+01  0.864601D+01  0.896149D+01 -0.437153D+01  0.999438D+01
      5  -0.606314D+01  0.112835D+02 -0.685810D+01  0.137259D+02 -0.127992D+02
      6   0.649835D+01 -0.508429D+01 -0.336307D+01  0.562011D+01 -0.468476D+01
                41            42            43            44            45 
      1   0.767929D+01 -0.406491D+01  0.103285D+01 -0.253089D+01  0.245855D+02
      2  -0.152484D+02 -0.280964D+01  0.206480D+01 -0.611361D+01  0.837083D+00
      3   0.756915D+01  0.687454D+01 -0.309765D+01  0.864450D+01 -0.254226D+02
      4  -0.159837D+02 -0.158756D+02 -0.798089D+01 -0.152538D+02  0.169832D+01
      5  -0.169193D+02  0.116293D+01  0.139705D+02 -0.106762D+01  0.135613D+02
      6  -0.194777D+01  0.426784D+01  0.397723D+01  0.329066D+01  0.417314D+01
                46            47            48            49            50 
      1  -0.189344D+02  0.336091D+01  0.153049D+01 -0.150097D+01 -0.109396D+02
      2   0.535671D+01 -0.235900D+01 -0.721555D+00  0.516731D+01  0.157470D+02
      3   0.135777D+02 -0.100190D+01 -0.808933D+00 -0.366634D+01 -0.480745D+01
      4  -0.733343D+00  0.474714D+01 -0.577780D+00 -0.125040D+02  0.245380D+01
      5   0.592733D+01 -0.639967D+00  0.333978D+01 -0.564876D+01 -0.817981D+00
      6  -0.262902D+01 -0.715581D-01 -0.206246D+01  0.232187D+01  0.473916D+01
                51            52            53            54            55 
      1  -0.122716D+01 -0.337284D-01 -0.157488D+01 -0.816334D+01  0.496463D+01
      2   0.632234D+01  0.301095D+01  0.315021D+01 -0.279012D+01  0.419068D+00
      3  -0.509519D+01 -0.297723D+01 -0.157533D+01  0.109535D+02 -0.538370D+01
      4  -0.116253D+01 -0.410045D+01 -0.785913D+00  0.233920D+00  0.370285D+01
      5   0.156759D+00  0.500838D+01  0.815621D-01 -0.743665D+00  0.118030D+01
      6  -0.188858D+01 -0.745356D+00  0.486417D+01 -0.275855D+01  0.864943D+00
                56            57            58            59            60 
      1   0.382355D+01  0.382527D+00  0.570021D+01 -0.996359D+01 -0.866953D+00
      2  -0.145953D+01 -0.906095D+00 -0.847711D+00  0.260323D+02  0.569473D+01
      3  -0.236402D+01  0.523568D+00 -0.485249D+01 -0.160687D+02 -0.482778D+01
      4   0.346511D+01  0.192846D+01  0.971331D+01  0.323727D+02  0.549054D+01
      5   0.682665D+00 -0.123795D+01 -0.102967D+01  0.634984D+01  0.816703D+01
      6   0.358484D+00 -0.110032D+01 -0.999984D+00 -0.370325D+01  0.443911D+01
                61            62            63            64            65 
      1   0.432464D+01 -0.290198D+00 -0.488513D+01 -0.124838D+01  0.758138D+00
      2  -0.211618D+01  0.578009D+01  0.390308D+01 -0.310291D+01 -0.477467D+00
      3  -0.220846D+01 -0.548989D+01  0.982051D+00  0.435129D+01 -0.280671D+00
      4   0.469542D+01  0.103884D+02  0.584749D+01 -0.166695D+01 -0.161848D+01
      5  -0.442035D+00  0.631569D+01  0.472986D+01 -0.203554D+01  0.966728D+00
      6  -0.157045D+00  0.376231D+01  0.260915D+01 -0.100594D+01  0.232711D+01
                66            67            68            69            70 
      1  -0.110870D+02 -0.169905D+01 -0.582257D+01  0.302396D+01 -0.835805D+01
      2  -0.152944D+00  0.100528D+01  0.212574D+01 -0.145782D+01  0.401517D+01
      3   0.112400D+02  0.693772D+00  0.369683D+01 -0.156614D+01  0.434288D+01
      4  -0.631072D+00  0.495594D+00  0.295843D+01 -0.367981D+01 -0.290019D+01
      5  -0.167675D+01  0.898216D+00 -0.278982D+01  0.220526D+01  0.715224D+01
      6  -0.277315D+01  0.593721D+00 -0.247004D+01  0.794959D+01  0.236007D-01
                71            72            73            74            75 
      1   0.384212D+01 -0.274350D+02  0.869978D+02 -0.488326D+01 -0.705187D+01
      2  -0.133176D+00 -0.144677D+02 -0.480804D+02  0.368741D+01  0.626302D+01
      3  -0.370895D+01  0.419027D+02 -0.389174D+02  0.119585D+01  0.788853D+00
      4  -0.466338D+01  0.262072D+01  0.344527D+01  0.102427D+02 -0.444913D+00
      5   0.490346D+01 -0.338460D+02 -0.247260D+02  0.106002D+01  0.127466D+02
      6   0.741297D+01 -0.125880D+02  0.118693D+01 -0.267991D+01  0.805733D+00
                76            77            78            79            80 
      1  -0.145806D+02  0.775906D+01  0.126309D+01 -0.674219D-01  0.191173D+00
      2   0.894289D+01 -0.228056D+01 -0.109339D+01  0.242875D+01  0.434973D+00
      3   0.563774D+01 -0.547850D+01 -0.169699D+00 -0.236132D+01 -0.626147D+00
      4   0.103668D+02 -0.255111D+01  0.672054D+00  0.723728D+00  0.148292D+01
      5   0.547114D+01 -0.792389D+00 -0.337871D+01  0.123334D+02 -0.834052D+00
      6  -0.268458D+01  0.144296D+01  0.769729D+00  0.539897D+00  0.775378D+00
                81            82            83            84            85 
      1   0.577238D+01  0.122042D+02  0.115361D+02  0.186762D+01  0.419752D+00
      2  -0.588732D+01 -0.916681D+01 -0.895286D+01  0.231970D+00  0.757370D+01
      3   0.114937D+00 -0.303736D+01 -0.258328D+01 -0.209959D+01 -0.799345D+01
      4  -0.395442D+00  0.864056D+01 -0.171450D+02 -0.288573D+01  0.104680D+02
      5  -0.533264D+01 -0.854832D+00 -0.251207D+01 -0.432054D+01  0.866793D+00
      6  -0.473232D+00 -0.124657D+01 -0.330178D+00 -0.265782D+01  0.418226D+01
                86            87            88            89            90 
      1   0.101358D+02  0.445252D+01 -0.123389D+01  0.405909D+01 -0.145370D+02
      2  -0.147634D+02 -0.599632D+01  0.374267D+01 -0.933695D+01  0.546613D+00
      3   0.462759D+01  0.154379D+01 -0.250878D+01  0.527786D+01  0.139904D+02
      4   0.131752D+02  0.137524D+01 -0.429656D+00  0.168558D+01  0.598597D+01
      5   0.154664D+01  0.135562D+01  0.365977D+01  0.492855D+01  0.434197D+01
      6  -0.838045D+01  0.431670D+01 -0.198722D+01  0.140300D+02  0.360916D+01
                91            92            93            94            95 
      1  -0.167563D+01 -0.236276D+02 -0.543732D+01  0.251003D+02  0.558005D+01
      2  -0.136078D+01  0.153227D+02  0.930735D+00 -0.235505D+02 -0.875058D+01
      3   0.303641D+01  0.830492D+01  0.450659D+01 -0.154983D+01  0.317054D+01
      4  -0.169505D+02  0.239063D+01  0.833208D+00  0.102747D+01 -0.113340D+02
      5  -0.110849D+01 -0.167718D-01  0.539209D+01 -0.445687D+01 -0.690378D+01
      6  -0.169556D+00  0.189042D+01  0.493254D+01 -0.623357D+01 -0.606138D+01
                96            97            98            99           100 
      1   0.992700D+00  0.520410D+01  0.232326D+01  0.188809D+01 -0.150069D+02
      2  -0.125285D+01 -0.840805D+01 -0.616608D+01 -0.816638D+01  0.987482D+01
      3   0.260152D+00  0.320395D+01  0.384282D+01  0.627829D+01  0.513210D+01
      4  -0.762634D+01 -0.259482D+01 -0.823360D+01  0.132306D+02  0.285900D+01
      5   0.888720D+01  0.181895D+02  0.138482D+02  0.676658D+01  0.232919D+01
      6   0.306518D+01  0.659129D+01  0.108555D+02 -0.434720D+00  0.119644D+01
               101           102           103           104           105 
      1   0.438379D+01  0.271413D+01 -0.912465D+01 -0.219614D+02 -0.743378D+01
      2  -0.308979D+01 -0.115808D+01  0.821062D+01  0.188489D+02  0.834264D+01
      3  -0.129400D+01 -0.155605D+01  0.914039D+00  0.311244D+01 -0.908862D+00
      4   0.206837D+02  0.104502D+01 -0.191557D+02  0.408075D+01  0.321443D+01
      5   0.818817D+00  0.144982D+02 -0.102443D+02  0.128706D+01 -0.185202D+01
      6  -0.733528D-01 -0.178559D+01  0.282193D+01  0.410498D+01 -0.202786D+01
               106           107           108           109           110 
      1   0.824738D+00 -0.737530D+01  0.126500D+02  0.107598D+02  0.210914D+02
      2   0.166286D+01  0.600233D+01 -0.162651D+02 -0.106077D+02 -0.140437D+02
      3  -0.248760D+01  0.137298D+01  0.361507D+01 -0.152084D+00 -0.704771D+01
      4  -0.112617D+02  0.171954D+01 -0.321374D+01  0.168209D+02 -0.710646D+01
      5   0.331318D+02 -0.331020D+01 -0.206957D+01  0.408798D+01 -0.160139D+01
      6  -0.207376D+01  0.498609D+01 -0.360956D+01 -0.402580D+01 -0.374623D+00
               111           112           113           114           115 
      1   0.358506D+01 -0.189962D+02  0.120987D+02  0.364172D+01 -0.387475D+01
      2  -0.647665D+00  0.170406D+02 -0.163292D+02 -0.561742D+01  0.576650D+01
      3  -0.293739D+01  0.195555D+01  0.423049D+01  0.197570D+01 -0.189175D+01
      4  -0.287823D+01  0.104257D+02  0.470995D+01  0.526634D+01 -0.117396D+01
      5   0.690289D-01 -0.312086D+00  0.572607D+01 -0.834567D+01  0.118501D+02
      6  -0.381303D+01  0.412095D+01 -0.932259D+01  0.444567D+01 -0.591750D+01
               116           117           118           119           120 
      1   0.186030D+01 -0.526221D+01 -0.217097D+01 -0.172510D+02 -0.390320D+01
      2  -0.841782D+01 -0.403439D+01  0.711887D+00  0.131476D+02  0.298438D+00
      3   0.655752D+01  0.929660D+01  0.145908D+01  0.410342D+01  0.360477D+01
      4   0.807658D+01 -0.127573D+02 -0.132808D+02 -0.979622D+01 -0.491843D+00
      5  -0.132642D+02 -0.808996D+01 -0.314219D+01 -0.107270D+01 -0.298917D+01
      6   0.139244D+02  0.281518D+01  0.166629D+01  0.115722D+01  0.536975D+01
               121           122           123           124           125 
      1   0.485835D+01  0.415257D+01  0.327070D+01  0.805317D+00  0.430811D+01
      2  -0.143016D+02 -0.692914D+01 -0.296283D+01 -0.567833D+01 -0.642508D+01
      3   0.944328D+01  0.277657D+01 -0.307872D+00  0.487301D+01  0.211697D+01
      4   0.537221D+01 -0.141606D+02 -0.218630D+01  0.200944D+01 -0.184767D+01
      5   0.230867D+01 -0.208907D+01  0.491643D+00  0.244502D+01 -0.192743D+01
      6  -0.671948D+01 -0.512449D+01  0.409497D+01  0.532445D+01  0.109559D+02
               126           127           128           129           130 
      1  -0.141233D+02 -0.542768D+01  0.879883D+01  0.193952D+01  0.746262D+01
      2   0.813357D+00  0.693344D+01 -0.105302D+02 -0.143985D+01 -0.925297D+01
      3   0.133100D+02 -0.150576D+01  0.173133D+01 -0.499668D+00  0.179034D+01
      4  -0.328075D+01 -0.364464D+01  0.727602D+01  0.117863D+01  0.510870D+01
      5   0.118420D+01 -0.808364D+00  0.121451D+01  0.126036D+01  0.891158D+00
      6   0.687189D-01  0.207889D+01 -0.258138D+01 -0.239005D+01 -0.234610D+01
               131           132           133           134           135 
      1  -0.330769D+02 -0.630568D+01  0.168513D+01 -0.630518D+01 -0.297544D+01
      2   0.440339D+02  0.571675D+01 -0.184131D+01  0.730539D+01  0.344902D+01
      3  -0.109569D+02  0.588924D+00  0.156177D+00 -0.100022D+01 -0.473583D+00
      4   0.819962D+00  0.496960D+00  0.103168D+01  0.328405D+00 -0.146231D+01
      5   0.717176D+00  0.182232D+00  0.657256D+00 -0.611256D+00 -0.452759D+00
      6   0.103792D+02  0.806861D+01 -0.100335D+01  0.443440D+01  0.269729D+01
               136           137           138           139           140 
      1   0.221148D+02  0.138532D+02  0.235611D+01  0.888841D+01  0.331620D+01
      2  -0.443239D+01  0.631141D+00 -0.101420D+01  0.595028D+01  0.162927D+02
      3  -0.176824D+02 -0.144843D+02 -0.134192D+01 -0.148387D+02 -0.196089D+02
      4   0.326309D+02  0.297008D+02  0.389020D+01  0.326770D+02  0.431875D+02
      5   0.615727D+01  0.445262D+01  0.632361D+01  0.613121D+01  0.710202D+01
      6   0.245411D+01  0.206738D+01  0.341677D+01  0.380596D+01  0.537550D+01
               141           142           143           144           145 
      1   0.662209D+00  0.132038D+01  0.230217D+00  0.431792D-01  0.987266D+02
      2   0.589944D+00  0.715621D+00  0.204800D+01  0.124359D+01 -0.554434D+02
      3  -0.125215D+01 -0.203600D+01 -0.227821D+01 -0.128677D+01 -0.432832D+02
      4   0.612949D+01  0.565971D+01  0.699564D+01  0.408181D+01 -0.151245D+02
      5   0.646554D+01  0.303067D+01  0.352629D+01  0.180669D+01 -0.477689D+01
      6   0.607821D+01  0.235252D+01  0.348509D+01  0.201498D+01 -0.205703D+01
               146           147           148           149           150 
      1  -0.905544D+01 -0.394056D+01 -0.789554D+01  0.981460D+01  0.138279D+01
      2   0.438579D+01  0.265271D+01  0.329121D+01 -0.439178D+01 -0.111073D+01
      3   0.466965D+01  0.128786D+01  0.460433D+01 -0.542281D+01 -0.272054D+00
      4   0.993882D+01  0.252846D+00  0.159550D+02 -0.469491D+01 -0.935465D+00
      5   0.491447D-01  0.107525D+02  0.270379D+01 -0.831353D+00 -0.142576D+01
      6   0.109949D-01 -0.775643D+00 -0.396695D+00 -0.110738D+00  0.139805D+01
               151           152           153           154           155 
      1  -0.387958D+01  0.147034D+01  0.436441D+01  0.522387D+01 -0.471948D+01
      2   0.215298D+01 -0.767135D+00 -0.265354D+01  0.351476D+01 -0.507156D+01
      3   0.172660D+01 -0.703202D+00 -0.171087D+01 -0.873862D+01  0.979104D+01
      4   0.288634D+01 -0.987583D+00 -0.952747D+00 -0.184823D+02  0.227746D+02
      5   0.413540D+01 -0.666668D+00 -0.696515D+00 -0.354564D+01  0.386670D+01
      6  -0.296380D+00  0.655602D+00  0.228921D+00  0.262068D+01 -0.291335D+01
               156           157           158           159           160 
      1  -0.951115D+00  0.103379D+01 -0.162113D+02 -0.308065D+01  0.101432D+00
      2  -0.226593D+00 -0.112867D+02  0.381583D+02  0.468589D+01 -0.172494D+01
      3   0.117771D+01  0.102529D+02 -0.219470D+02 -0.160524D+01  0.162351D+01
      4   0.428041D+01  0.235702D+02 -0.464462D+02 -0.823648D+01  0.485501D+01
      5   0.415776D+01  0.416194D+01 -0.743947D+01 -0.605674D+01  0.206991D+01
      6  -0.274248D+01 -0.419536D+01  0.103444D+02  0.856439D+01 -0.215682D+01
               161           162           163           164           165 
      1  -0.280477D+01 -0.198984D+01 -0.386168D+01 -0.641118D+01 -0.113618D+01
      2   0.599759D+01  0.317202D+01  0.598603D+01  0.900880D+01  0.725532D+00
      3  -0.319282D+01 -0.118218D+01 -0.212435D+01 -0.259762D+01  0.410647D+00
      4  -0.920195D+01 -0.393301D+01  0.904159D+01  0.839443D+01  0.796378D+00
      5  -0.296250D+01 -0.226154D+01  0.906620D-01  0.615021D+00  0.180769D+01
      6   0.501834D+01  0.315358D+01  0.103918D+01  0.157046D+01  0.249700D+01
               166           167           168           169           170 
      1  -0.764209D+01 -0.201026D+02 -0.325082D+01 -0.129520D+01 -0.348986D+01
      2   0.106896D+02  0.269664D+02  0.257270D+01  0.200647D+01  0.415048D+01
      3  -0.304755D+01 -0.686378D+01  0.678113D+00 -0.711265D+00 -0.660616D+00
      4   0.844425D+01  0.832570D+01  0.763714D+00  0.114639D+01  0.107291D+01
      5   0.852899D+00  0.897444D+00  0.139315D+01  0.886013D+00  0.903197D+00
      6   0.223028D+01  0.456403D+01  0.541842D+01  0.896146D+00  0.252956D+01
               171 
      1  -0.949146D+00
      2   0.179399D+01
      3  -0.844840D+00
      4   0.209751D+01
      5   0.667105D+00
      6   0.143037D+01
 Leave Link  716 at Thu Aug 12 22:01:40 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.126242D+03  0.887577D+00 -0.170428D+01
      2   0.887577D+00  0.102167D+03  0.561355D+01
      3  -0.170428D+01  0.561355D+01  0.718591D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.423963D+00 -0.810897D+01 -0.259051D+01
      2   0.113416D+02 -0.100610D+02  0.758498D+01
      3   0.236192D+01  0.397720D+02  0.951241D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1  -0.909306D+02 -0.415937D+01  0.792143D+01
      2   0.309609D+02  0.104116D+02  0.755154D+01
      3   0.599697D+02 -0.625219D+01 -0.154730D+02
      4   0.143830D+02 -0.796617D+02 -0.254609D+02
      5  -0.181028D+02 -0.260901D+02  0.235967D+02
      6  -0.106481D+02 -0.146378D+02  0.926029D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.524044D+01 -0.103711D+01  0.242369D+01 -0.214796D+01  0.200696D+01
      2  -0.103711D+01  0.787602D+00 -0.341129D+00  0.200696D+01 -0.295485D+01
      3   0.242369D+01 -0.341129D+00  0.274272D+01 -0.989380D+00  0.893376D-01
                 6             7             8             9            10 
      1  -0.989380D+00  0.503669D+01 -0.846678D+00  0.370421D+01 -0.285997D+01
      2   0.893376D-01 -0.846678D+00 -0.109521D+01 -0.296057D+01 -0.948163D-01
      3  -0.323450D+01  0.370421D+01 -0.296057D+01  0.333921D+01 -0.475237D+00
                11            12            13            14            15 
      1  -0.948163D-01 -0.475237D+00 -0.868526D+00 -0.238251D+01  0.169955D+01
      2  -0.755727D+00  0.124643D+01 -0.238251D+01  0.383759D+01  0.295028D+01
      3   0.124643D+01 -0.223621D+01  0.169955D+01  0.295028D+01  0.245395D+00
                16            17            18            19            20 
      1  -0.276760D+01  0.165902D+01 -0.476957D+01 -0.562459D+00  0.478833D+00
      2   0.165902D+01  0.328217D+01  0.156681D+01  0.478833D+00 -0.427378D+00
      3  -0.476957D+01  0.156681D+01 -0.163316D+01  0.984812D-01 -0.374186D+00
                21            22            23            24            25 
      1   0.984812D-01  0.172163D+01 -0.141640D+00  0.223410D+00  0.119743D+01
      2  -0.374186D+00 -0.141640D+00  0.200371D+01  0.169871D+01 -0.154462D+00
      3  -0.118549D+01  0.223410D+00  0.169871D+01  0.280032D+01  0.214818D+00
                26            27            28            29            30 
      1  -0.154462D+00  0.214818D+00  0.295489D+00 -0.130230D+01 -0.756144D+00
      2   0.163624D+01  0.118625D+01 -0.130230D+01  0.118731D+01  0.216586D+00
      3   0.118625D+01  0.369198D+01 -0.756144D+00  0.216586D+00  0.722948D+00
                31            32            33            34            35 
      1  -0.237156D+01  0.189272D+01  0.348055D+00 -0.100718D+01  0.389534D+00
      2   0.189272D+01 -0.607677D+01 -0.176016D+01  0.389534D+00 -0.208674D+01
      3   0.348055D+00 -0.176016D+01 -0.170336D+01  0.110731D+01 -0.169614D+01
                36            37            38            39            40 
      1   0.110731D+01 -0.820237D+01  0.203718D+01  0.121841D+00  0.456242D+01
      2  -0.169614D+01  0.203718D+01  0.103308D+01 -0.108809D+01  0.135330D+01
      3  -0.151198D+01  0.121841D+00 -0.108809D+01  0.296627D+01 -0.150712D+01
                41            42            43            44            45 
      1   0.135330D+01 -0.150712D+01 -0.118801D+01 -0.136484D+01  0.262722D+01
      2  -0.336105D+01 -0.285379D+01 -0.136484D+01 -0.273181D+01 -0.549275D+00
      3  -0.285379D+01 -0.100778D+00  0.262722D+01 -0.549275D+00  0.453944D+01
                46            47            48            49            50 
      1   0.151385D+02 -0.154306D+01  0.496490D+00 -0.295651D+01 -0.125997D+01
      2  -0.154306D+01  0.254676D+01  0.468872D-01 -0.125997D+01 -0.645418D+00
      3   0.496490D+00  0.468872D-01  0.200265D+01 -0.138589D+01 -0.407561D+00
                51            52            53            54            55 
      1  -0.138589D+01 -0.147000D+01 -0.923491D+00  0.348661D+01  0.576767D+00
      2  -0.407561D+00 -0.923491D+00 -0.419013D+00 -0.348477D+00  0.696020D+00
      3  -0.147219D+00  0.348661D+01 -0.348477D+00 -0.263100D+00  0.531915D+00
                56            57            58            59            60 
      1   0.696020D+00  0.531915D+00  0.173559D+01  0.879913D+00 -0.468920D-01
      2   0.370740D-01  0.228110D+00  0.879913D+00  0.627447D+01  0.102999D+01
      3   0.228110D+00 -0.425150D+00 -0.468920D-01  0.102999D+01  0.162123D+01
                61            62            63            64            65 
      1   0.129379D+01  0.484606D+00 -0.233922D+00 -0.806469D-01 -0.126285D+00
      2   0.484606D+00  0.191082D+01  0.128237D+01 -0.126285D+00 -0.517531D+00
      3  -0.233922D+00  0.128237D+01  0.732547D+00 -0.106222D+01  0.357325D+00
                66            67            68            69            70 
      1  -0.106222D+01 -0.504039D+00 -0.138738D+00  0.147697D+00 -0.165564D+01
      2   0.357325D+00 -0.138738D+00  0.733664D+00 -0.985794D+00 -0.130521D+00
      3  -0.185957D+01  0.147697D+00 -0.985794D+00  0.554558D+00 -0.290722D-02
                71            72            73            74            75 
      1  -0.130521D+00 -0.290722D-02  0.129508D+02 -0.530757D+00 -0.143178D+01
      2  -0.113239D+01  0.117761D+01 -0.530757D+00  0.109867D+01 -0.638495D-02
      3   0.117761D+01 -0.864564D+01 -0.143178D+01 -0.638495D-02  0.122494D+01
                76            77            78            79            80 
      1  -0.239309D+01  0.116979D+01  0.502405D+00 -0.153818D+00  0.163537D+00
      2   0.116979D+01 -0.357043D+00  0.182148D+00  0.163537D+00  0.366993D+00
      3   0.502405D+00  0.182148D+00 -0.481925D+00  0.125603D+01 -0.580648D-01
                81            82            83            84            85 
      1   0.125603D+01 -0.436332D+01  0.233459D+01  0.185304D+00 -0.558099D+01
      2  -0.580648D-01  0.233459D+01  0.220423D+01  0.191089D+00  0.232938D+00
      3  -0.757387D+00  0.185304D+00  0.191089D+00  0.958829D+00 -0.202761D+00
                86            87            88            89            90 
      1   0.232938D+00 -0.202761D+00 -0.103867D+01 -0.515655D+00  0.941678D+00
      2  -0.145610D+01  0.811000D+00 -0.515655D+00  0.124061D+01 -0.354977D+01
      3   0.811000D+00 -0.180101D+01  0.941678D+00 -0.354977D+01 -0.225956D+01
                91            92            93            94            95 
      1   0.164960D+01 -0.503116D+00  0.636937D-01 -0.485824D+01  0.845695D+00
      2  -0.503116D+00 -0.266747D+01 -0.572848D+00  0.845695D+00 -0.520794D+00
      3   0.636937D-01 -0.572848D+00 -0.155458D+01  0.626531D+00  0.103201D+01
                96            97            98            99           100 
      1   0.626531D+00 -0.923663D+00  0.651632D+00 -0.278240D+01 -0.469453D+01
      2   0.103201D+01  0.651632D+00  0.136164D+01 -0.287421D+01  0.366553D-01
      3  -0.154271D+01 -0.278240D+01 -0.287421D+01 -0.125488D+01 -0.232302D+00
               101           102           103           104           105 
      1   0.366553D-01 -0.232302D+00  0.606634D+00  0.286994D+00  0.128181D+01
      2  -0.319790D+01 -0.140478D+00  0.286994D+00 -0.192554D+00 -0.482931D+00
      3  -0.140478D+00 -0.252320D+01  0.128181D+01 -0.482931D+00  0.222166D+00
               106           107           108           109           110 
      1  -0.260396D-01  0.109488D+01 -0.495985D+01  0.348391D+01 -0.468136D+00
      2   0.109488D+01 -0.106828D+00  0.424943D+00 -0.468136D+00 -0.161190D+01
      3  -0.495985D+01  0.424943D+00  0.544314D+00 -0.211948D+00  0.183113D+00
               111           112           113           114           115 
      1  -0.211948D+00  0.462502D+01 -0.801757D-01  0.295057D+00  0.105664D+01
      2   0.183113D+00 -0.801757D-01  0.115133D+01 -0.874728D+00  0.509452D+00
      3  -0.946901D+00  0.295057D+00 -0.874728D+00  0.178372D+01 -0.173025D+01
               116           117           118           119           120 
      1   0.509452D+00 -0.173025D+01 -0.344045D+01 -0.667614D+00 -0.853016D-02
      2  -0.119919D+01  0.345238D+01 -0.667614D+00  0.290218D+01  0.427236D+00
      3   0.345238D+01  0.221555D+01 -0.853016D-02  0.427236D+00  0.157671D+01
               121           122           123           124           125 
      1   0.741859D+01  0.156612D+00  0.554775D-02  0.162500D+01 -0.773864D-01
      2   0.156612D+00  0.124633D+01 -0.544373D+00 -0.773864D-01 -0.108970D+01
      3   0.554775D-02 -0.544373D+00  0.164981D+01  0.190377D+01  0.299241D+01
               126           127           128           129           130 
      1   0.190377D+01  0.162037D+01 -0.181846D+01 -0.397376D+00 -0.150364D+01
      2   0.299241D+01 -0.181846D+01  0.217278D+01  0.427923D+00  0.200966D+01
      3   0.124319D+01 -0.397376D+00  0.427923D+00  0.346197D+00  0.410614D+00
               131           132           133           134           135 
      1   0.200966D+01  0.410614D+00 -0.435787D+00  0.501378D+00  0.573754D-01
      2  -0.863705D+01 -0.148778D+01  0.501378D+00 -0.166075D+01 -0.491110D+00
      3  -0.148778D+01 -0.120857D+01  0.573754D-01 -0.491110D+00 -0.292245D+00
               136           137           138           139           140 
      1  -0.499255D+01 -0.383450D+01 -0.627803D+00 -0.366067D+01 -0.436055D+01
      2  -0.383450D+01 -0.352970D+01 -0.451711D+00 -0.436055D+01 -0.658718D+01
      3  -0.627803D+00 -0.451711D+00 -0.705669D+00 -0.756637D+00 -0.968739D+00
               141           142           143           144           145 
      1  -0.756637D+00 -0.613486D+00 -0.753944D+00 -0.298184D+00 -0.131228D+02
      2  -0.968739D+00 -0.753944D+00 -0.122188D+01 -0.405053D+00  0.132544D+01
      3  -0.100358D+01 -0.298184D+00 -0.405053D+00 -0.222479D+00  0.599297D+00
               146           147           148           149           150 
      1   0.132544D+01  0.599297D+00  0.128875D+01 -0.168425D+01 -0.343327D+00
      2  -0.938945D+00 -0.148279D-01 -0.168425D+01  0.486280D+00  0.977241D-01
      3  -0.148279D-01 -0.106416D+01 -0.343327D+00  0.977241D-01  0.165685D+00
               151           152           153           154           155 
      1   0.470735D+00 -0.349114D+00 -0.222101D+00 -0.228473D+01  0.261204D+01
      2  -0.349114D+00  0.746638D-01  0.606841D-01  0.261204D+01 -0.273237D+01
      3  -0.222101D+00  0.606841D-01  0.441511D-01  0.570008D+00 -0.538488D+00
               156           157           158           159           160 
      1   0.570008D+00  0.223365D+01 -0.365250D+01 -0.743607D+00  0.515737D+00
      2  -0.538488D+00 -0.365250D+01  0.930053D+01  0.170028D+01 -0.785702D+00
      3  -0.486674D+00 -0.743607D+00  0.170028D+01  0.127627D+01 -0.247077D+00
               161           162           163           164           165 
      1  -0.785702D+00 -0.247077D+00  0.364803D+01  0.240540D+01  0.112625D+00
      2   0.184013D+01  0.548947D+00  0.240540D+01  0.240922D+01  0.203448D+00
      3   0.548947D+00  0.352817D+00  0.112625D+00  0.203448D+00  0.446326D+00
               166           167           168           169           170 
      1   0.265292D+01  0.286577D+01  0.434938D+00  0.838826D-01  0.447756D+00
      2   0.286577D+01  0.575491D+01  0.774376D+00  0.447756D+00  0.103024D+01
      3   0.434938D+00  0.774376D+00  0.904484D+00 -0.527601D-01  0.240254D+00
               171 
      1  -0.527601D-01
      2   0.240254D+00
      3   0.137226D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.489875D+00  0.379909D+01  0.173788D+01  0.793030D+00 -0.515499D+01
      2   0.152882D+01  0.890535D+00  0.116924D+02  0.242240D+01 -0.229300D+01
      3  -0.859180D+00 -0.783752D+01 -0.166742D+01 -0.345840D+01  0.633203D+01
                 6             7             8             9            10 
      1  -0.741441D+01  0.246778D+01  0.730334D+00  0.204261D+00  0.306554D+00
      2  -0.771356D+01  0.490234D+01 -0.738227D+01  0.561814D+01  0.175521D-01
      3   0.175031D+01 -0.328787D+01  0.216035D+01  0.523581D+01  0.411107D+01
                11            12            13            14            15 
      1   0.351100D+00 -0.445241D-02  0.118734D+01  0.655841D+00 -0.353834D+01
      2   0.637780D+00 -0.312666D+01  0.104064D+01  0.544988D+01  0.125517D+01
      3   0.248244D+01 -0.387117D+00  0.125757D+02 -0.749234D+01 -0.780868D+01
                16            17            18            19            20 
      1  -0.171901D+01  0.838932D+00 -0.140983D+01  0.198718D+01 -0.197934D+01
      2  -0.142272D+02  0.442050D+01 -0.475736D+01  0.366539D+01 -0.195066D+01
      3   0.171426D+00 -0.871742D+01 -0.145181D+01 -0.244679D+01  0.217165D+01
                21            22            23            24            25 
      1  -0.969601D+00 -0.151873D+01  0.548449D+01  0.342136D+01 -0.433740D+00
      2  -0.285140D+01 -0.275276D+01  0.490803D+01  0.704007D+01 -0.167374D+01
      3   0.104516D+01  0.332494D+01 -0.465173D+01 -0.445511D+01  0.105145D+00
                26            27            28            29            30 
      1   0.411870D+01  0.408784D+01 -0.689438D-03 -0.563868D+00  0.571781D+00
      2   0.337001D+01  0.815315D+01 -0.169257D+01  0.212840D+00  0.185522D+01
      3  -0.312922D+01 -0.360468D+01  0.336359D+01 -0.269372D+01 -0.765439D-01
                31            32            33            34            35 
      1  -0.133139D+00  0.157388D+01 -0.249326D+01  0.737577D+00  0.936241D+00
      2  -0.476290D+00 -0.315756D+01 -0.351482D+01  0.266292D+00 -0.306487D+01
      3   0.120105D+01  0.121394D+02  0.368729D+01  0.685034D+00  0.470735D+01
                36            37            38            39            40 
      1  -0.866963D+00 -0.255203D+01 -0.163260D+01 -0.127852D+01  0.695668D-01
      2  -0.242369D+01 -0.721770D+01 -0.535557D+00  0.107405D+02 -0.716358D-01
      3   0.304909D+01 -0.140745D+02 -0.603811D+01  0.355850D+01  0.478506D-01
                41            42            43            44            45 
      1   0.576046D+01  0.144060D+01  0.796736D+00  0.645651D+01 -0.443287D+01
      2  -0.642363D+01 -0.229688D+01  0.248057D+01 -0.338718D+01  0.162350D+02
      3   0.124760D+02  0.808964D+01  0.309791D+01  0.834140D+01  0.307150D+01
                46            47            48            49            50 
      1   0.538831D+00  0.259086D+00  0.325912D+00  0.935820D+00 -0.209575D+01
      2   0.173018D+01 -0.127071D+01 -0.760397D+00 -0.897886D+00 -0.100831D+01
      3  -0.132579D+01  0.406743D+01  0.760468D+00  0.146448D+02 -0.933818D+00
                51            52            53            54            55 
      1   0.165828D+01  0.100581D+01  0.953460D+01  0.184275D+01 -0.159709D+01
      2   0.298147D+00 -0.142715D+02 -0.736087D-01 -0.957729D+00  0.182771D+01
      3   0.182096D+01  0.569223D+00  0.666928D-01 -0.105164D+01 -0.356307D+01
                56            57            58            59            60 
      1  -0.335724D-01  0.431693D+00 -0.426106D-01 -0.781175D+01 -0.515363D+01
      2   0.887517D+00 -0.359804D+00  0.575578D+00  0.377156D+01  0.433574D+01
      3   0.832698D+00  0.462183D+00  0.278027D+01 -0.182996D+02 -0.424044D+01
                61            62            63            64            65 
      1  -0.375832D-01 -0.204491D+01 -0.272092D+01  0.904005D+00  0.119893D+01
      2  -0.125808D+01  0.344548D+01  0.194776D+01 -0.442435D+01  0.450654D+00
      3   0.145204D+01 -0.601190D+01 -0.439545D+01 -0.840311D-01  0.915993D+00
                66            67            68            69            70 
      1   0.117357D+01  0.600073D+00 -0.265115D+00 -0.345172D+00  0.585333D+00
      2  -0.525123D+01 -0.179186D+00 -0.251622D+01  0.171590D+01 -0.474495D+01
      3  -0.152859D+01  0.156820D+01 -0.200409D+01  0.239171D+01 -0.137125D+01
                71            72            73            74            75 
      1   0.268560D+01  0.513537D+01  0.153451D+01 -0.157995D+01 -0.632657D+00
      2   0.285404D+01 -0.222450D+02  0.801557D+01 -0.597406D+00  0.475036D+01
      3   0.253491D+01 -0.374312D+01  0.971269D+01 -0.671012D+01 -0.890435D+00
                76            77            78            79            80 
      1  -0.136003D+01  0.214336D+00 -0.805309D+00 -0.802152D+00  0.240316D+00
      2  -0.633340D+00  0.167101D+01 -0.128985D+01  0.180364D+01 -0.949827D-01
      3  -0.363604D+01  0.150850D+01 -0.812382D+00 -0.912627D+00 -0.952570D+00
                81            82            83            84            85 
      1   0.293332D+00 -0.674590D+00 -0.807428D+00  0.121250D+01 -0.113395D+01
      2  -0.113015D+01 -0.255442D+01  0.164535D+01 -0.900728D+00  0.148188D+01
      3   0.787059D+00  0.522335D+01 -0.535712D+01 -0.166003D+01  0.408428D+01
                86            87            88            89            90 
      1   0.280515D+00 -0.255253D+01  0.361723D+01  0.129925D+01 -0.524936D+00
      2   0.788876D+00  0.168141D+01 -0.125244D+02  0.155954D+01  0.276553D+01
      3  -0.512319D+01 -0.323683D+00 -0.188468D+01  0.923091D+00 -0.452580D+01
                91            92            93            94            95 
      1  -0.116954D+00  0.210729D+00 -0.198680D+01  0.114290D+01 -0.888429D-01
      2   0.952703D+00  0.128741D+01  0.255164D+01 -0.116137D+01 -0.254167D+01
      3  -0.327178D+01 -0.925535D+01 -0.140443D+01  0.656461D+01 -0.922259D+00
                96            97            98            99           100 
      1  -0.163378D+01 -0.559687D+01  0.402754D+01  0.931962D+00  0.112747D+00
      2   0.452694D+01 -0.325797D+01  0.895360D+01  0.302526D+01 -0.525204D+00
      3   0.173020D+01  0.115904D+01  0.229601D+01 -0.411929D+01  0.187969D+01
               101           102           103           104           105 
      1   0.186523D+00  0.792224D+00  0.435072D-01 -0.273573D+01  0.136158D+01
      2  -0.270893D+00  0.638441D+01 -0.389164D+01 -0.151562D+00 -0.119427D+01
      3  -0.617466D+01  0.870927D-01  0.112476D+02  0.160267D+01 -0.570519D+00
               106           107           108           109           110 
      1   0.176770D+01  0.103646D+02  0.238811D+01  0.494118D+00 -0.357981D+00
      2   0.605978D+01 -0.224471D+01 -0.112645D+01  0.126342D+01  0.245519D+01
      3   0.292013D+01  0.821158D-01  0.798162D+00 -0.177001D+01 -0.126558D+02
               111           112           113           114           115 
      1   0.186747D+01 -0.986923D+00  0.315454D+00 -0.262487D+01  0.457200D+01
      2   0.135461D+01  0.113140D+01  0.256213D+01 -0.402592D+01 -0.759740D+01
      3  -0.226986D+01  0.402401D+01  0.620254D+00 -0.169046D+01  0.397785D+00
               116           117           118           119           120 
      1   0.116597D+01 -0.988657D+00 -0.122460D+01 -0.567447D-01 -0.273417D+01
      2  -0.793560D+01 -0.396288D+01 -0.136983D+01  0.646956D+00 -0.159438D+01
      3  -0.297074D+01  0.419192D+01 -0.888621D+00 -0.847093D+00  0.393733D+00
               121           122           123           124           125 
      1   0.784138D+00 -0.524632D+00 -0.209585D+01 -0.658137D+01  0.325549D+01
      2   0.292420D+01 -0.365976D+00 -0.125688D+01 -0.122693D+02 -0.859032D+00
      3   0.260653D+01  0.456574D+01 -0.519658D+00 -0.190219D+01  0.459789D+00
               126           127           128           129           130 
      1   0.127200D+00  0.110971D-01 -0.169939D+00  0.152474D+01  0.338020D-01
      2  -0.112031D+00  0.130054D+01 -0.956362D+00  0.706673D-01 -0.115907D+01
      3   0.582884D+01 -0.606209D+01  0.396990D+01  0.999777D+00  0.665465D+01
               131           132           133           134           135 
      1   0.725879D+00 -0.409333D+01 -0.371749D+00  0.196937D+01 -0.375834D+00
      2   0.185834D+01 -0.108272D+00 -0.174069D+01  0.529396D+00  0.542394D-02
      3  -0.872198D+01 -0.190663D+01  0.135200D+01 -0.173474D+01 -0.299299D+00
               136           137           138           139           140 
      1   0.232012D+00  0.623081D+00 -0.222656D+01 -0.116450D+00  0.402364D+00
      2  -0.628691D-01 -0.433307D-01  0.286599D+01  0.750746D+00  0.134842D+01
      3  -0.152102D+01 -0.459691D+01 -0.210363D+00 -0.358153D+01 -0.109319D+02
               141           142           143           144           145 
      1  -0.321217D+01  0.706157D+00  0.136597D+01 -0.310902D+00 -0.106833D+00
      2   0.360463D+01 -0.717034D+00 -0.860764D-01  0.431682D+00 -0.972843D+00
      3  -0.126627D+01 -0.911354D+00 -0.218847D+01 -0.511507D+00  0.616850D+00
               146           147           148           149           150 
      1  -0.209374D+00  0.648524D+00  0.617515D-01 -0.453348D-01 -0.373510D+00
      2  -0.900162D-01  0.628531D+01  0.139414D+01 -0.303574D+00 -0.933342D+00
      3  -0.526202D+01  0.182913D+00 -0.378548D+01  0.145392D+01  0.238029D+00
               151           152           153           154           155 
      1  -0.311672D+00  0.625215D+00  0.505297D-01 -0.176234D+00 -0.762954D-01
      2  -0.216485D+01  0.385888D-01 -0.137289D+00 -0.274115D+00  0.359544D+00
      3  -0.123286D+01  0.484655D+00  0.157558D+00  0.617493D+00 -0.206840D+01
               156           157           158           159           160 
      1   0.164298D+01  0.264502D+00  0.280365D+00 -0.435147D+01 -0.494468D+00
      2   0.148418D+01  0.434226D+00 -0.235918D+01 -0.324904D+01 -0.427742D+00
      3  -0.210139D+00 -0.122263D+01  0.134335D+02  0.216259D+01 -0.446448D+00
               161           162           163           164           165 
      1   0.173317D+01 -0.571787D+00  0.817838D+00  0.838553D+00 -0.209651D+01
      2  -0.121640D+00 -0.736463D+00 -0.206278D+01 -0.953780D+00  0.738512D+00
      3   0.267309D+01  0.570652D+00  0.990359D+01  0.397671D+01  0.864705D-02
               166           167           168           169           170 
      1   0.230208D+00  0.223506D+00 -0.312334D+01  0.530836D+00  0.177710D+01
      2  -0.932031D+00 -0.123757D+01  0.112482D+01 -0.176899D+01 -0.360778D+00
      3   0.749083D+01  0.538844D+01  0.868948D+00  0.395387D-01  0.975597D+00
               171 
      1  -0.522126D-01
      2   0.261255D+00
      3   0.120059D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.199730D+02 -0.302994D+01  0.240457D+01 -0.298867D+01  0.436720D+01
      2  -0.139165D+02 -0.396478D+00 -0.752380D+01  0.467559D+00  0.417108D+01
      3  -0.605657D+01  0.342642D+01  0.511923D+01  0.252111D+01 -0.853828D+01
      4  -0.540949D+01  0.135495D+02 -0.242883D+01  0.160911D+02 -0.148732D+02
      5   0.160489D+02 -0.307334D+01  0.214546D+02 -0.692025D+01  0.310065D+01
      6  -0.470120D+01  0.510985D+01 -0.108959D+01  0.507919D+01 -0.947231D+01
                 6             7             8             9            10 
      1   0.738475D+01  0.333397D+01  0.479832D+01 -0.216788D+00  0.742803D+01
      2   0.356325D+01 -0.119918D+02  0.322543D+01 -0.118038D+02 -0.351470D+01
      3  -0.109480D+02  0.865787D+01 -0.802375D+01  0.120206D+02 -0.391333D+01
      4   0.999207D+00 -0.497619D+01 -0.159196D+01 -0.138226D+02 -0.333831D+01
      5  -0.127062D+02  0.285863D+02 -0.117072D+02  0.223158D+02 -0.470992D+01
      6   0.357932D+01 -0.432533D+01  0.683808D+01 -0.118389D+02  0.300693D+01
                11            12            13            14            15 
      1  -0.352461D+01  0.138076D+01 -0.940533D+01  0.960072D+00  0.545697D+01
      2   0.186162D+01  0.118753D+01  0.738529D+01 -0.573752D+01 -0.880538D+01
      3   0.166299D+01 -0.256828D+01  0.202005D+01  0.477745D+01  0.334841D+01
      4  -0.116456D+02  0.533574D+01 -0.138060D+02  0.176136D+02  0.144247D+02
      5   0.583726D+01 -0.160577D+02  0.113321D+02  0.137313D+02  0.253519D+00
      6   0.177142D+01  0.535555D+00  0.525957D+01 -0.594241D+01 -0.549577D+01
                16            17            18            19            20 
      1  -0.132438D+01  0.490480D+01 -0.501085D+01 -0.135590D+01  0.212658D+01
      2   0.716796D+01 -0.534554D+01  0.669289D+01  0.186439D+00  0.266707D+00
      3  -0.584358D+01  0.440742D+00 -0.168205D+01  0.116946D+01 -0.239329D+01
      4   0.104060D+02  0.144113D+02  0.633641D+01  0.177886D+01 -0.311104D+01
      5  -0.310107D+02  0.557595D+01 -0.884261D+01  0.723007D+00 -0.351545D+00
      6   0.324078D+01 -0.101264D+02  0.383054D+01  0.169126D+01 -0.194566D+01
                21            22            23            24            25 
      1   0.522670D+01  0.434658D+01 -0.616470D+01 -0.582673D+01  0.414866D+01
      2   0.800618D+00 -0.236133D+01 -0.229420D+00 -0.363718D+01 -0.208889D+01
      3  -0.602732D+01 -0.198525D+01  0.639412D+01  0.946391D+01 -0.205976D+01
      4  -0.151666D+01 -0.587392D+00  0.837297D+01  0.713064D+01 -0.104804D+01
      5  -0.257771D+01  0.302683D+01  0.526155D+01  0.100598D+02  0.380769D+01
      6  -0.110770D+01 -0.826297D+00  0.650029D+01  0.719320D+01 -0.731562D+00
                26            27            28            29            30 
      1  -0.338824D+01 -0.837409D+01  0.201846D+01 -0.329157D+01 -0.190729D+01
      2  -0.259035D+01 -0.571959D+01  0.189000D+01  0.384271D+00  0.540178D+00
      3   0.597859D+01  0.140937D+02 -0.390845D+01  0.290730D+01  0.136711D+01
      4   0.594382D+01  0.522483D+01 -0.804758D+01  0.104647D+02  0.229925D+01
      5   0.388004D+01  0.113206D+02 -0.382462D+01  0.217595D+01  0.519078D+01
      6   0.558527D+01  0.418712D+01  0.311374D+01 -0.193025D+01 -0.879602D+00
                31            32            33            34            35 
      1  -0.220530D+01 -0.973211D+01 -0.321712D+01 -0.157803D+01 -0.397079D+01
      2  -0.193336D+01  0.185062D+02  0.474005D+01  0.250992D+00  0.345888D+01
      3   0.413866D+01 -0.877405D+01 -0.152293D+01  0.132704D+01  0.511908D+00
      4   0.125858D+02 -0.271392D+02 -0.796507D+01  0.305219D+01 -0.953922D+01
      5   0.276643D+01 -0.713660D+01 -0.701567D+01  0.678121D+01 -0.672424D+01
      6  -0.303318D+01  0.106985D+02  0.762232D+01 -0.266402D+01  0.888950D+01
                36            37            38            39            40 
      1  -0.328746D+01 -0.524062D+02  0.724514D+01  0.975468D+01  0.176367D+02
      2   0.143023D+01  0.305907D+02 -0.290730D+01  0.129625D+01 -0.110068D+02
      3   0.185723D+01  0.218154D+02 -0.433783D+01 -0.110509D+02 -0.662989D+01
      4  -0.753978D+01  0.864601D+01  0.896149D+01 -0.437153D+01  0.999438D+01
      5  -0.606314D+01  0.112835D+02 -0.685810D+01  0.137259D+02 -0.127992D+02
      6   0.649835D+01 -0.508429D+01 -0.336307D+01  0.562011D+01 -0.468476D+01
                41            42            43            44            45 
      1   0.767929D+01 -0.406491D+01  0.103285D+01 -0.253089D+01  0.245855D+02
      2  -0.152484D+02 -0.280964D+01  0.206480D+01 -0.611361D+01  0.837083D+00
      3   0.756915D+01  0.687454D+01 -0.309765D+01  0.864450D+01 -0.254226D+02
      4  -0.159837D+02 -0.158756D+02 -0.798089D+01 -0.152538D+02  0.169832D+01
      5  -0.169193D+02  0.116293D+01  0.139705D+02 -0.106762D+01  0.135613D+02
      6  -0.194777D+01  0.426784D+01  0.397723D+01  0.329066D+01  0.417314D+01
                46            47            48            49            50 
      1  -0.189344D+02  0.336091D+01  0.153049D+01 -0.150097D+01 -0.109396D+02
      2   0.535671D+01 -0.235900D+01 -0.721555D+00  0.516731D+01  0.157470D+02
      3   0.135777D+02 -0.100190D+01 -0.808933D+00 -0.366634D+01 -0.480745D+01
      4  -0.733343D+00  0.474714D+01 -0.577780D+00 -0.125040D+02  0.245380D+01
      5   0.592733D+01 -0.639967D+00  0.333978D+01 -0.564876D+01 -0.817981D+00
      6  -0.262902D+01 -0.715581D-01 -0.206246D+01  0.232187D+01  0.473916D+01
                51            52            53            54            55 
      1  -0.122716D+01 -0.337284D-01 -0.157488D+01 -0.816334D+01  0.496463D+01
      2   0.632234D+01  0.301095D+01  0.315021D+01 -0.279012D+01  0.419068D+00
      3  -0.509519D+01 -0.297723D+01 -0.157533D+01  0.109535D+02 -0.538370D+01
      4  -0.116253D+01 -0.410045D+01 -0.785913D+00  0.233920D+00  0.370285D+01
      5   0.156759D+00  0.500838D+01  0.815621D-01 -0.743665D+00  0.118030D+01
      6  -0.188858D+01 -0.745356D+00  0.486417D+01 -0.275855D+01  0.864943D+00
                56            57            58            59            60 
      1   0.382355D+01  0.382527D+00  0.570021D+01 -0.996359D+01 -0.866953D+00
      2  -0.145953D+01 -0.906095D+00 -0.847711D+00  0.260323D+02  0.569473D+01
      3  -0.236402D+01  0.523568D+00 -0.485249D+01 -0.160687D+02 -0.482778D+01
      4   0.346511D+01  0.192846D+01  0.971331D+01  0.323727D+02  0.549054D+01
      5   0.682665D+00 -0.123795D+01 -0.102967D+01  0.634984D+01  0.816703D+01
      6   0.358484D+00 -0.110032D+01 -0.999984D+00 -0.370325D+01  0.443911D+01
                61            62            63            64            65 
      1   0.432464D+01 -0.290198D+00 -0.488513D+01 -0.124838D+01  0.758138D+00
      2  -0.211618D+01  0.578009D+01  0.390308D+01 -0.310291D+01 -0.477467D+00
      3  -0.220846D+01 -0.548989D+01  0.982051D+00  0.435129D+01 -0.280671D+00
      4   0.469542D+01  0.103884D+02  0.584749D+01 -0.166695D+01 -0.161848D+01
      5  -0.442035D+00  0.631569D+01  0.472986D+01 -0.203554D+01  0.966728D+00
      6  -0.157045D+00  0.376231D+01  0.260915D+01 -0.100594D+01  0.232711D+01
                66            67            68            69            70 
      1  -0.110870D+02 -0.169905D+01 -0.582257D+01  0.302396D+01 -0.835805D+01
      2  -0.152944D+00  0.100528D+01  0.212574D+01 -0.145782D+01  0.401517D+01
      3   0.112400D+02  0.693772D+00  0.369683D+01 -0.156614D+01  0.434288D+01
      4  -0.631072D+00  0.495594D+00  0.295843D+01 -0.367981D+01 -0.290019D+01
      5  -0.167675D+01  0.898216D+00 -0.278982D+01  0.220526D+01  0.715224D+01
      6  -0.277315D+01  0.593721D+00 -0.247004D+01  0.794959D+01  0.236007D-01
                71            72            73            74            75 
      1   0.384212D+01 -0.274350D+02  0.869978D+02 -0.488326D+01 -0.705187D+01
      2  -0.133176D+00 -0.144677D+02 -0.480804D+02  0.368741D+01  0.626302D+01
      3  -0.370895D+01  0.419027D+02 -0.389174D+02  0.119585D+01  0.788853D+00
      4  -0.466338D+01  0.262072D+01  0.344527D+01  0.102427D+02 -0.444913D+00
      5   0.490346D+01 -0.338460D+02 -0.247260D+02  0.106002D+01  0.127466D+02
      6   0.741297D+01 -0.125880D+02  0.118693D+01 -0.267991D+01  0.805733D+00
                76            77            78            79            80 
      1  -0.145806D+02  0.775906D+01  0.126309D+01 -0.674219D-01  0.191173D+00
      2   0.894289D+01 -0.228056D+01 -0.109339D+01  0.242875D+01  0.434973D+00
      3   0.563774D+01 -0.547850D+01 -0.169699D+00 -0.236132D+01 -0.626147D+00
      4   0.103668D+02 -0.255111D+01  0.672054D+00  0.723728D+00  0.148292D+01
      5   0.547114D+01 -0.792389D+00 -0.337871D+01  0.123334D+02 -0.834052D+00
      6  -0.268458D+01  0.144296D+01  0.769729D+00  0.539897D+00  0.775378D+00
                81            82            83            84            85 
      1   0.577238D+01  0.122042D+02  0.115361D+02  0.186762D+01  0.419752D+00
      2  -0.588732D+01 -0.916681D+01 -0.895286D+01  0.231970D+00  0.757370D+01
      3   0.114937D+00 -0.303736D+01 -0.258328D+01 -0.209959D+01 -0.799345D+01
      4  -0.395442D+00  0.864056D+01 -0.171450D+02 -0.288573D+01  0.104680D+02
      5  -0.533264D+01 -0.854832D+00 -0.251207D+01 -0.432054D+01  0.866793D+00
      6  -0.473232D+00 -0.124657D+01 -0.330178D+00 -0.265782D+01  0.418226D+01
                86            87            88            89            90 
      1   0.101358D+02  0.445252D+01 -0.123389D+01  0.405909D+01 -0.145370D+02
      2  -0.147634D+02 -0.599632D+01  0.374267D+01 -0.933695D+01  0.546613D+00
      3   0.462759D+01  0.154379D+01 -0.250878D+01  0.527786D+01  0.139904D+02
      4   0.131752D+02  0.137524D+01 -0.429656D+00  0.168558D+01  0.598597D+01
      5   0.154664D+01  0.135562D+01  0.365977D+01  0.492855D+01  0.434197D+01
      6  -0.838045D+01  0.431670D+01 -0.198722D+01  0.140300D+02  0.360916D+01
                91            92            93            94            95 
      1  -0.167563D+01 -0.236276D+02 -0.543732D+01  0.251003D+02  0.558005D+01
      2  -0.136078D+01  0.153227D+02  0.930735D+00 -0.235505D+02 -0.875058D+01
      3   0.303641D+01  0.830492D+01  0.450659D+01 -0.154983D+01  0.317054D+01
      4  -0.169505D+02  0.239063D+01  0.833208D+00  0.102747D+01 -0.113340D+02
      5  -0.110849D+01 -0.167718D-01  0.539209D+01 -0.445687D+01 -0.690378D+01
      6  -0.169556D+00  0.189042D+01  0.493254D+01 -0.623357D+01 -0.606138D+01
                96            97            98            99           100 
      1   0.992700D+00  0.520410D+01  0.232326D+01  0.188809D+01 -0.150069D+02
      2  -0.125285D+01 -0.840805D+01 -0.616608D+01 -0.816638D+01  0.987482D+01
      3   0.260152D+00  0.320395D+01  0.384282D+01  0.627829D+01  0.513210D+01
      4  -0.762634D+01 -0.259482D+01 -0.823360D+01  0.132306D+02  0.285900D+01
      5   0.888720D+01  0.181895D+02  0.138482D+02  0.676658D+01  0.232919D+01
      6   0.306518D+01  0.659129D+01  0.108555D+02 -0.434720D+00  0.119644D+01
               101           102           103           104           105 
      1   0.438379D+01  0.271413D+01 -0.912465D+01 -0.219614D+02 -0.743378D+01
      2  -0.308979D+01 -0.115808D+01  0.821062D+01  0.188489D+02  0.834264D+01
      3  -0.129400D+01 -0.155605D+01  0.914039D+00  0.311244D+01 -0.908862D+00
      4   0.206837D+02  0.104502D+01 -0.191557D+02  0.408075D+01  0.321443D+01
      5   0.818817D+00  0.144982D+02 -0.102443D+02  0.128706D+01 -0.185202D+01
      6  -0.733528D-01 -0.178559D+01  0.282193D+01  0.410498D+01 -0.202786D+01
               106           107           108           109           110 
      1   0.824738D+00 -0.737530D+01  0.126500D+02  0.107598D+02  0.210914D+02
      2   0.166286D+01  0.600233D+01 -0.162651D+02 -0.106077D+02 -0.140437D+02
      3  -0.248760D+01  0.137298D+01  0.361507D+01 -0.152084D+00 -0.704771D+01
      4  -0.112617D+02  0.171954D+01 -0.321374D+01  0.168209D+02 -0.710646D+01
      5   0.331318D+02 -0.331020D+01 -0.206957D+01  0.408798D+01 -0.160139D+01
      6  -0.207376D+01  0.498609D+01 -0.360956D+01 -0.402580D+01 -0.374623D+00
               111           112           113           114           115 
      1   0.358506D+01 -0.189962D+02  0.120987D+02  0.364172D+01 -0.387475D+01
      2  -0.647665D+00  0.170406D+02 -0.163292D+02 -0.561742D+01  0.576650D+01
      3  -0.293739D+01  0.195555D+01  0.423049D+01  0.197570D+01 -0.189175D+01
      4  -0.287823D+01  0.104257D+02  0.470995D+01  0.526634D+01 -0.117396D+01
      5   0.690289D-01 -0.312086D+00  0.572607D+01 -0.834567D+01  0.118501D+02
      6  -0.381303D+01  0.412095D+01 -0.932259D+01  0.444567D+01 -0.591750D+01
               116           117           118           119           120 
      1   0.186030D+01 -0.526221D+01 -0.217097D+01 -0.172510D+02 -0.390320D+01
      2  -0.841782D+01 -0.403439D+01  0.711887D+00  0.131476D+02  0.298438D+00
      3   0.655752D+01  0.929660D+01  0.145908D+01  0.410342D+01  0.360477D+01
      4   0.807658D+01 -0.127573D+02 -0.132808D+02 -0.979622D+01 -0.491843D+00
      5  -0.132642D+02 -0.808996D+01 -0.314219D+01 -0.107270D+01 -0.298917D+01
      6   0.139244D+02  0.281518D+01  0.166629D+01  0.115722D+01  0.536975D+01
               121           122           123           124           125 
      1   0.485835D+01  0.415257D+01  0.327070D+01  0.805317D+00  0.430811D+01
      2  -0.143016D+02 -0.692914D+01 -0.296283D+01 -0.567833D+01 -0.642508D+01
      3   0.944328D+01  0.277657D+01 -0.307872D+00  0.487301D+01  0.211697D+01
      4   0.537221D+01 -0.141606D+02 -0.218630D+01  0.200944D+01 -0.184767D+01
      5   0.230867D+01 -0.208907D+01  0.491643D+00  0.244502D+01 -0.192743D+01
      6  -0.671948D+01 -0.512449D+01  0.409497D+01  0.532445D+01  0.109559D+02
               126           127           128           129           130 
      1  -0.141233D+02 -0.542768D+01  0.879883D+01  0.193952D+01  0.746262D+01
      2   0.813357D+00  0.693344D+01 -0.105302D+02 -0.143985D+01 -0.925297D+01
      3   0.133100D+02 -0.150576D+01  0.173133D+01 -0.499668D+00  0.179034D+01
      4  -0.328075D+01 -0.364464D+01  0.727602D+01  0.117863D+01  0.510870D+01
      5   0.118420D+01 -0.808364D+00  0.121451D+01  0.126036D+01  0.891158D+00
      6   0.687189D-01  0.207889D+01 -0.258138D+01 -0.239005D+01 -0.234610D+01
               131           132           133           134           135 
      1  -0.330769D+02 -0.630568D+01  0.168513D+01 -0.630518D+01 -0.297544D+01
      2   0.440339D+02  0.571675D+01 -0.184131D+01  0.730539D+01  0.344902D+01
      3  -0.109569D+02  0.588924D+00  0.156177D+00 -0.100022D+01 -0.473583D+00
      4   0.819962D+00  0.496960D+00  0.103168D+01  0.328405D+00 -0.146231D+01
      5   0.717176D+00  0.182232D+00  0.657256D+00 -0.611256D+00 -0.452759D+00
      6   0.103792D+02  0.806861D+01 -0.100335D+01  0.443440D+01  0.269729D+01
               136           137           138           139           140 
      1   0.221148D+02  0.138532D+02  0.235611D+01  0.888841D+01  0.331620D+01
      2  -0.443239D+01  0.631141D+00 -0.101420D+01  0.595028D+01  0.162927D+02
      3  -0.176824D+02 -0.144843D+02 -0.134192D+01 -0.148387D+02 -0.196089D+02
      4   0.326309D+02  0.297008D+02  0.389020D+01  0.326770D+02  0.431875D+02
      5   0.615727D+01  0.445262D+01  0.632361D+01  0.613121D+01  0.710202D+01
      6   0.245411D+01  0.206738D+01  0.341677D+01  0.380596D+01  0.537550D+01
               141           142           143           144           145 
      1   0.662209D+00  0.132038D+01  0.230217D+00  0.431792D-01  0.987266D+02
      2   0.589944D+00  0.715621D+00  0.204800D+01  0.124359D+01 -0.554434D+02
      3  -0.125215D+01 -0.203600D+01 -0.227821D+01 -0.128677D+01 -0.432832D+02
      4   0.612949D+01  0.565971D+01  0.699564D+01  0.408181D+01 -0.151245D+02
      5   0.646554D+01  0.303067D+01  0.352629D+01  0.180669D+01 -0.477689D+01
      6   0.607821D+01  0.235252D+01  0.348509D+01  0.201498D+01 -0.205703D+01
               146           147           148           149           150 
      1  -0.905544D+01 -0.394056D+01 -0.789554D+01  0.981460D+01  0.138279D+01
      2   0.438579D+01  0.265271D+01  0.329121D+01 -0.439178D+01 -0.111073D+01
      3   0.466965D+01  0.128786D+01  0.460433D+01 -0.542281D+01 -0.272054D+00
      4   0.993882D+01  0.252846D+00  0.159550D+02 -0.469491D+01 -0.935465D+00
      5   0.491447D-01  0.107525D+02  0.270379D+01 -0.831353D+00 -0.142576D+01
      6   0.109949D-01 -0.775643D+00 -0.396695D+00 -0.110738D+00  0.139805D+01
               151           152           153           154           155 
      1  -0.387958D+01  0.147034D+01  0.436441D+01  0.522387D+01 -0.471948D+01
      2   0.215298D+01 -0.767135D+00 -0.265354D+01  0.351476D+01 -0.507156D+01
      3   0.172660D+01 -0.703202D+00 -0.171087D+01 -0.873862D+01  0.979104D+01
      4   0.288634D+01 -0.987583D+00 -0.952747D+00 -0.184823D+02  0.227746D+02
      5   0.413540D+01 -0.666668D+00 -0.696515D+00 -0.354564D+01  0.386670D+01
      6  -0.296380D+00  0.655602D+00  0.228921D+00  0.262068D+01 -0.291335D+01
               156           157           158           159           160 
      1  -0.951115D+00  0.103379D+01 -0.162113D+02 -0.308065D+01  0.101432D+00
      2  -0.226593D+00 -0.112867D+02  0.381583D+02  0.468589D+01 -0.172494D+01
      3   0.117771D+01  0.102529D+02 -0.219470D+02 -0.160524D+01  0.162351D+01
      4   0.428041D+01  0.235702D+02 -0.464462D+02 -0.823648D+01  0.485501D+01
      5   0.415776D+01  0.416194D+01 -0.743947D+01 -0.605674D+01  0.206991D+01
      6  -0.274248D+01 -0.419536D+01  0.103444D+02  0.856439D+01 -0.215682D+01
               161           162           163           164           165 
      1  -0.280477D+01 -0.198984D+01 -0.386168D+01 -0.641118D+01 -0.113618D+01
      2   0.599759D+01  0.317202D+01  0.598603D+01  0.900880D+01  0.725532D+00
      3  -0.319282D+01 -0.118218D+01 -0.212435D+01 -0.259762D+01  0.410647D+00
      4  -0.920195D+01 -0.393301D+01  0.904159D+01  0.839443D+01  0.796378D+00
      5  -0.296250D+01 -0.226154D+01  0.906620D-01  0.615021D+00  0.180769D+01
      6   0.501834D+01  0.315358D+01  0.103918D+01  0.157046D+01  0.249700D+01
               166           167           168           169           170 
      1  -0.764209D+01 -0.201026D+02 -0.325082D+01 -0.129520D+01 -0.348986D+01
      2   0.106896D+02  0.269664D+02  0.257270D+01  0.200647D+01  0.415048D+01
      3  -0.304755D+01 -0.686378D+01  0.678113D+00 -0.711265D+00 -0.660616D+00
      4   0.844425D+01  0.832570D+01  0.763714D+00  0.114639D+01  0.107291D+01
      5   0.852899D+00  0.897444D+00  0.139315D+01  0.886013D+00  0.903197D+00
      6   0.223028D+01  0.456403D+01  0.541842D+01  0.896146D+00  0.252956D+01
               171 
      1  -0.949146D+00
      2   0.179399D+01
      3  -0.844840D+00
      4   0.209751D+01
      5   0.667105D+00
      6   0.143037D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x         -0.414972D+00     -0.105475D+01     -0.351828D+01
   y          0.430442D+00      0.109407D+01      0.364944D+01
   z         -0.236947D+00     -0.602259D+00     -0.200892D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.120315D+03      0.178288D+02      0.198373D+02
   yx         0.658091D+00      0.975190D-01      0.108504D+00
   yy         0.970347D+02      0.143791D+02      0.159989D+02
   zx        -0.168596D+01     -0.249834D+00     -0.277977D+00
   zy         0.591442D+01      0.876426D+00      0.975156D+00
   zz         0.667553D+02      0.989212D+01      0.110065D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100089D+03      0.148317D+02      0.165025D+02
   aniso      0.483062D+02      0.715824D+01      0.796461D+01
   xx         0.126242D+03      0.187072D+02      0.208146D+02
   yx         0.887577D+00      0.131525D+00      0.146342D+00
   yy         0.102167D+03      0.151396D+02      0.168450D+02
   zx        -0.170428D+01     -0.252549D+00     -0.280998D+00
   zy         0.561355D+01      0.831843D+00      0.925550D+00
   zz         0.718591D+02      0.106484D+02      0.118480D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8          1.06769431         -2.11508468         -4.15855482
     6          2.09106880         -0.30135558         -2.41856796
     1          0.42917632         -3.52524239         -3.19773248
     1          2.30108628          1.40968632         -3.55141128
     6          4.69568660         -1.11614513         -1.50044667
     6          0.22793453          0.25468875         -0.31926551
     1          4.60407522         -2.88607999         -0.44456533
     1          5.52493693          0.31960982         -0.27291979
     1          5.93541503         -1.40762384         -3.11920623
     6         -1.33996906          2.36446622         -0.47735407
     6         -3.12791380          2.86092163          1.37958643
     6         -3.38144689          1.23735887          3.42798868
     6         -1.83254271         -0.87626101          3.60663543
     6         -0.03887991         -1.35708526          1.75072863
     1         -1.15766375          3.62580393         -2.07949126
     1         -4.32445908          4.51305342          1.22607504
     1         -4.77269304          1.61821220          4.87797413
     1         -2.01243294         -2.14636733          5.20028364
     1          1.16740130         -2.99990985          1.93360185

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643137D+00      0.163469D+01      0.545275D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643137D+00      0.163469D+01      0.545275D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.947017D+02      0.140333D+02      0.156142D+02
   aniso      0.477336D+02      0.707338D+01      0.787020D+01
   xx         0.950926D+02      0.140913D+02      0.156787D+02
   yx        -0.168015D+02     -0.248972D+01     -0.277019D+01
   yy         0.906823D+02      0.134377D+02      0.149515D+02
   zx        -0.209882D+02     -0.311013D+01     -0.346048D+01
   zy        -0.468700D+01     -0.694541D+00     -0.772781D+00
   zz         0.983301D+02      0.145710D+02      0.162124D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.100089D+03      0.148317D+02      0.165025D+02
   aniso      0.483062D+02      0.715824D+01      0.796461D+01
   xx         0.100838D+03      0.149426D+02      0.166259D+02
   yx        -0.171808D+02     -0.254594D+01     -0.283274D+01
   yy         0.956997D+02      0.141812D+02      0.157788D+02
   zx        -0.211299D+02     -0.313112D+01     -0.348384D+01
   zy        -0.443075D+01     -0.656569D+00     -0.730532D+00
   zz         0.103731D+03      0.153713D+02      0.171029D+02

 ----------------------------------------------------------------------
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 NO HUMAN INVESTIGATION CAN BECOME REAL SCIENCE
 WITHOUT GOING THROUGH MATHEMATICAL PEOPLE.
 -- LEONARDO DA VINCI, IN "PENSIERI" CA. 1492
 Job cpu time:       0 days  2 hours 20 minutes 59.4 seconds.
 Elapsed time:       0 days  0 hours 17 minutes 41.1 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 22:01:41 2021.
